Results from an EMSL Arrows Request
Making molecular modeling accessible by combining NWChem, databases, web APIs (https://arrows.emsl.pnnl.gov/api), and email (arrows@emsl.pnnl.gov)
nwdatafile: fetch Id=41026 datafilename=mo_orbital_nwchemarrows-orbital.out-947562-2019-8-9-6:39:5
argument 1 = /home/bylaska/Projects/Work/RUNARROWS0/nwchemarrows-orbital.nw
============================== echo of input deck ==============================
permanent_dir /home/bylaska/Projects/Work/RUNARROWS0
scratch_dir /home/bylaska/Projects/Work/RUNARROWS0
######################### START NWCHEM INPUT DECK - NWJOB 95079 ########################
#
# NWChemJobId: 5d4d3dc449db981c577ce61a
#
# NWChem Input Generation (tnt_submit5) - The current time is Fri Aug 9 02:32:42 2019
# - adding tag homolumoresubmitjob:41026:homolumoresubmitjob osmiles:FC(=O)F:osmiles to input deck.
#
# - pubchem_synonyms = ['Carbonyl fluoride', 'Carbonic difluoride', 'Fluorophosgene', 'Fluophosgene', 'CARBONYL DIFLUORIDE', 'Difluorooxomethane', 'Carbon difluoride oxide', 'Carbon oxyfluoride', 'Difluoroformaldehyde', 'Fluoroformyl fluoride', 'Difluoro
#
# - queue_number = 95079
# - mformula = C1F2O1
# - name = /srv/arrows/Projects/Work/homolumo-41026.xyz theory{dft} xc{b3lyp} basis{6-311++G(2d,2p)} solvation_type{COSMO} calculation_type{cb} ^{0} basisHZ{default} property{mo_coefficients}
# - smiles = FC(=O)F
# - csmiles = FC(=O)F
# - InChI = InChI=1S/CF2O/c2-1(3)4
# - InChIKey = IYRWEQXVUNLMAY-UHFFFAOYSA-N
# - pubchem_cid = 9623
# - pubchem_smiles = C(=O)(F)F
# - pubchem_iupac = carbonyl difluoride
# - pubchem_synonym0 = Carbonyl fluoride
# - theory = dft
# - pspw4 = False
# - paw = False
# - xc = b3lyp
# - basis = 6-311++G(2d,2p)
# - basisHZ = default
# - theory_property = dft
# - property_pspw4 = False
# - property_paw = False
# - xc_property = b3lyp
# - basis_property = 6-311++G(2d,2p)
# - basisHZ_property = default
# - type = cb
# - solvation_type = COSMO
# - charge = 0
# - mult = 1
# - babel gen. xyz = True
# - cactus gen. xyz = False
# - bonds rotated = False
# - machine = Shirky
# - emailresults =
#
# - twirl webpage = TwirlMol Link
# - image webpage = GIF Image Link
# - nmrdb webpage = 1H NMR prediction
# - nmrdb webpage = 13C NMR prediction
# - nmrdb webpage = COSY prediction
# - nmrdb webpage = HSQC/HMBC prediction
#
#
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title "swnc: cb theory=dft xc=b3lyp formula=C1F2O1 charge=0 mult=1 machinejob:Shirky "
#vtag= homolumoresubmitjob:41026:homolumoresubmitjob osmiles:FC(=O)F:osmiles
echo
start dft-b3lyp-C1F2O1-95079
memory 1900 mb
charge 0
geometry units angstroms print xyz noautosym noautoz
F -1.243196 0.015811 -0.015316
C 0.069301 -0.086247 0.083556
O 0.654475 -0.814222 0.788834
F 0.602524 0.781135 -0.756779
end
basis "ao basis" cartesian print
C library 6-311++G(2d,2p)
F library 6-311++G(2d,2p)
O library 6-311++G(2d,2p)
end
dft
print "final vectors"
direct
noio
grid nodisk
mult 1
xc b3lyp
iterations 5001
end
unset scf:converged
cosmo
do_gasphase .true.
rsolv 0.0
ifscrn 2
minbem 3
maxbem 3
radius 1.280000 2.096000 1.576000 1.280000
end
task dft energy ignore
### Generating HOMO and LUMO Gaussian cube files ###
dplot
TITLE HOMO_Orbital
vectors dft-b3lyp-C1F2O1-95079.movecs
LimitXYZ
-15.0 15.0 96
-15.0 15.0 96
-15.0 15.0 96
spin total
orbitals view
1
16
gaussian
output homo-restricted.cube
end
task dplot
dplot
TITLE LUMO_Orbital
vectors dft-b3lyp-C1F2O1-95079.movecs
LimitXYZ
-15.0 15.0 96
-15.0 15.0 96
-15.0 15.0 96
spin total
orbitals view
1
17
gaussian
output lumo-restricted.cube
end
task dplot
######################### END NWCHEM INPUT DECK - NWJOB 95079 ########################
================================================================================
Northwest Computational Chemistry Package (NWChem) 6.8
------------------------------------------------------
Environmental Molecular Sciences Laboratory
Pacific Northwest National Laboratory
Richland, WA 99352
Copyright (c) 1994-2018
Pacific Northwest National Laboratory
Battelle Memorial Institute
NWChem is an open-source computational chemistry package
distributed under the terms of the
Educational Community License (ECL) 2.0
A copy of the license is included with this distribution
in the LICENSE.TXT file
ACKNOWLEDGMENT
--------------
This software and its documentation were developed at the
EMSL at Pacific Northwest National Laboratory, a multiprogram
national laboratory, operated for the U.S. Department of Energy
by Battelle under Contract Number DE-AC05-76RL01830. Support
for this work was provided by the Department of Energy Office
of Biological and Environmental Research, Office of Basic
Energy Sciences, and the Office of Advanced Scientific Computing.
Job information
---------------
hostname = orbital
program = /home/bylaska/bin/nwchem
date = Fri Aug 9 06:02:03 2019
compiled = Fri_Nov_30_18:21:28_2018
source = /home/bylaska/nwchem-releases/nwchem
nwchem branch = Development
nwchem revision = N/A
ga revision = 5.6.5
use scalapack = F
input = /home/bylaska/Projects/Work/RUNARROWS0/nwchemarrows-orbital.nw
prefix = dft-b3lyp-C1F2O1-95079.
data base = /home/bylaska/Projects/Work/RUNARROWS0/dft-b3lyp-C1F2O1-95079.db
status = startup
nproc = 8
time left = -1s
Memory information
------------------
heap = 62259196 doubles = 475.0 Mbytes
stack = 62259201 doubles = 475.0 Mbytes
global = 124518400 doubles = 950.0 Mbytes (distinct from heap & stack)
total = 249036797 doubles = 1900.0 Mbytes
verify = yes
hardfail = no
Directory information
---------------------
0 permanent = /home/bylaska/Projects/Work/RUNARROWS0
0 scratch = /home/bylaska/Projects/Work/RUNARROWS0
NWChem Input Module
-------------------
swnc: cb theory=dft xc=b3lyp formula=C1F2O1 charge=0 mult=1 machinejob:Shirky
-----------------------------------------------------------------------------
Scaling coordinates for geometry "geometry" by 1.889725989
(inverse scale = 0.529177249)
Geometry "geometry" -> ""
-------------------------
Output coordinates in angstroms (scale by 1.889725989 to convert to a.u.)
No. Tag Charge X Y Z
---- ---------------- ---------- -------------- -------------- --------------
1 F 9.0000 -1.23961969 0.01139675 -0.01103953
2 C 6.0000 0.07287731 -0.09066125 0.08783247
3 O 8.0000 0.65805131 -0.81863625 0.79311047
4 F 9.0000 0.60610031 0.77672075 -0.75250253
Atomic Mass
-----------
F 18.998400
C 12.000000
O 15.994910
Effective nuclear repulsion energy (a.u.) 119.4014507563
Nuclear Dipole moment (a.u.)
----------------------------
X Y Z
---------------- ---------------- ----------------
0.0000000000 0.0000000000 0.0000000000
XYZ format geometry
-------------------
4
geometry
F -1.23961969 0.01139675 -0.01103953
C 0.07287731 -0.09066125 0.08783247
O 0.65805131 -0.81863625 0.79311047
F 0.60610031 0.77672075 -0.75250253
==============================================================================
internuclear distances
------------------------------------------------------------------------------
center one | center two | atomic units | angstroms
------------------------------------------------------------------------------
2 C | 1 F | 2.49475 | 1.32017
3 O | 2 C | 2.21170 | 1.17038
4 F | 2 C | 2.49475 | 1.32017
------------------------------------------------------------------------------
number of included internuclear distances: 3
==============================================================================
==============================================================================
internuclear angles
------------------------------------------------------------------------------
center 1 | center 2 | center 3 | degrees
------------------------------------------------------------------------------
1 F | 2 C | 3 O | 126.18
1 F | 2 C | 4 F | 107.64
3 O | 2 C | 4 F | 126.18
------------------------------------------------------------------------------
number of included internuclear angles: 3
==============================================================================
Basis "ao basis" -> "" (cartesian)
-----
C (Carbon)
----------
Exponent Coefficients
-------------- ---------------------------------------------------------
1 S 4.56324000E+03 0.001967
1 S 6.82024000E+02 0.015231
1 S 1.54973000E+02 0.076127
1 S 4.44553000E+01 0.260801
1 S 1.30290000E+01 0.616462
1 S 1.82773000E+00 0.221006
2 S 2.09642000E+01 0.114660
2 S 4.80331000E+00 0.919999
2 S 1.45933000E+00 -0.003031
3 P 2.09642000E+01 0.040249
3 P 4.80331000E+00 0.237594
3 P 1.45933000E+00 0.815854
4 S 4.83456000E-01 1.000000
5 P 4.83456000E-01 1.000000
6 S 1.45585000E-01 1.000000
7 P 1.45585000E-01 1.000000
8 S 4.38000000E-02 1.000000
9 P 4.38000000E-02 1.000000
10 D 1.25200000E+00 1.000000
11 D 3.13000000E-01 1.000000
F (Fluorine)
------------
Exponent Coefficients
-------------- ---------------------------------------------------------
1 S 1.14271000E+04 0.001801
1 S 1.72235000E+03 0.013742
1 S 3.95746000E+02 0.068133
1 S 1.15139000E+02 0.233325
1 S 3.36026000E+01 0.589086
1 S 4.91901000E+00 0.299505
2 S 5.54441000E+01 0.114536
2 S 1.26323000E+01 0.920512
2 S 3.71756000E+00 -0.003378
3 P 5.54441000E+01 0.035461
3 P 1.26323000E+01 0.237451
3 P 3.71756000E+00 0.820458
4 S 1.16545000E+00 1.000000
5 P 1.16545000E+00 1.000000
6 S 3.21892000E-01 1.000000
7 P 3.21892000E-01 1.000000
8 S 1.07600000E-01 1.000000
9 P 1.07600000E-01 1.000000
10 D 3.50000000E+00 1.000000
11 D 8.75000000E-01 1.000000
O (Oxygen)
----------
Exponent Coefficients
-------------- ---------------------------------------------------------
1 S 8.58850000E+03 0.001895
1 S 1.29723000E+03 0.014386
1 S 2.99296000E+02 0.070732
1 S 8.73771000E+01 0.240001
1 S 2.56789000E+01 0.594797
1 S 3.74004000E+00 0.280802
2 S 4.21175000E+01 0.113889
2 S 9.62837000E+00 0.920811
2 S 2.85332000E+00 -0.003274
3 P 4.21175000E+01 0.036511
3 P 9.62837000E+00 0.237153
3 P 2.85332000E+00 0.819702
4 S 9.05661000E-01 1.000000
5 P 9.05661000E-01 1.000000
6 S 2.55611000E-01 1.000000
7 P 2.55611000E-01 1.000000
8 S 8.45000000E-02 1.000000
9 P 8.45000000E-02 1.000000
10 D 2.58400000E+00 1.000000
11 D 6.46000000E-01 1.000000
Summary of "ao basis" -> "" (cartesian)
------------------------------------------------------------------------------
Tag Description Shells Functions and Types
---------------- ------------------------------ ------ ---------------------
C 6-311++G(2d,2p) 11 29 5s4p2d
F 6-311++G(2d,2p) 11 29 5s4p2d
O 6-311++G(2d,2p) 11 29 5s4p2d
unset: warning: scf:converged is not in the database
NWChem DFT Module
-----------------
swnc: cb theory=dft xc=b3lyp formula=C1F2O1 charge=0 mult=1 machinejob:Shirky
Summary of "ao basis" -> "ao basis" (cartesian)
------------------------------------------------------------------------------
Tag Description Shells Functions and Types
---------------- ------------------------------ ------ ---------------------
C 6-311++G(2d,2p) 11 29 5s4p2d
F 6-311++G(2d,2p) 11 29 5s4p2d
O 6-311++G(2d,2p) 11 29 5s4p2d
solvent parameters
solvname_short: h2o
solvname_long: water
dielec: 78.4000
dielecinf: 1.7769
---------------
-cosmo- solvent
---------------
Cosmo: York-Karplus, doi: 10.1021/jp992097l
dielectric constant -eps- = 78.40
screen = (eps-1)/(eps ) = 0.98724
surface charge correction = lagrangian
-lineq- algorithm = 0
-bem- low level = 3
-bem- from -octahedral-
gaussian surface charge width = 0.98000
degree of switching = 1.00000
switching function tolerance = 0.00010
atomic radii =
--------------
1 9.000 1.280
2 6.000 2.096
3 8.000 1.576
4 9.000 1.280
solvent accessible surface
--------------------------
---------- ATOMIC COORDINATES (A.U.) ------------ VDWR(ANG.) --
1 -2.34254154 0.02153673 -0.02086169 1.280
2 0.13771815 -0.17132492 0.16597930 2.096
3 1.24353667 -1.54699820 1.49876146 1.576
4 1.14536351 1.46778939 -1.42202359 1.280
number of segments per atom = 128
number of points per atom = 128
atom ( nspa, nppa )
----------------------
1 ( 56, 0 ) 0
2 ( 90, 0 ) 0
3 ( 64, 0 ) 0
4 ( 54, 0 ) 0
number of -cosmo- surface points = 264
molecular surface = 63.710 angstrom**2
molecular volume = 38.310 angstrom**3
G(cav/disp) = 1.179 kcal/mol
...... end of -cosmo- initialization ......
Caching 1-el integrals
General Information
-------------------
SCF calculation type: DFT
Wavefunction type: closed shell.
No. of atoms : 4
No. of electrons : 32
Alpha electrons : 16
Beta electrons : 16
Charge : 0
Spin multiplicity: 1
Use of symmetry is: off; symmetry adaption is: off
Maximum number of iterations: ***
This is a Direct SCF calculation.
AO basis - number of functions: 116
number of shells: 44
Convergence on energy requested: 1.00D-06
Convergence on density requested: 1.00D-05
Convergence on gradient requested: 5.00D-04
XC Information
--------------
B3LYP Method XC Potential
Hartree-Fock (Exact) Exchange 0.200
Slater Exchange Functional 0.800 local
Becke 1988 Exchange Functional 0.720 non-local
Lee-Yang-Parr Correlation Functional 0.810
VWN I RPA Correlation Functional 0.190 local
Grid Information
----------------
Grid used for XC integration: medium
Radial quadrature: Mura-Knowles
Angular quadrature: Lebedev.
Tag B.-S. Rad. Rad. Pts. Rad. Cut. Ang. Pts.
--- ---------- --------- --------- ---------
F 0.50 49 9.0 434
C 0.70 49 8.0 434
O 0.60 49 8.0 434
Grid pruning is: on
Number of quadrature shells: 196
Spatial weights used: Erf1
Convergence Information
-----------------------
Convergence aids based upon iterative change in
total energy or number of iterations.
Levelshifting, if invoked, occurs when the
HOMO/LUMO gap drops below (HL_TOL): 1.00D-02
DIIS, if invoked, will attempt to extrapolate
using up to (NFOCK): 10 stored Fock matrices.
Damping( 0%) Levelshifting(0.5) DIIS
--------------- ------------------- ---------------
dE on: start ASAP start
dE off: 2 iters *** iters *** iters
Screening Tolerance Information
-------------------------------
Density screening/tol_rho: 1.00D-10
AO Gaussian exp screening on grid/accAOfunc: 14
CD Gaussian exp screening on grid/accCDfunc: 20
XC Gaussian exp screening on grid/accXCfunc: 20
Schwarz screening/accCoul: 1.00D-08
Superposition of Atomic Density Guess
-------------------------------------
Sum of atomic energies: -311.26265025
Non-variational initial energy
------------------------------
Total energy = -312.441650
1-e energy = -669.098728
2-e energy = 237.255627
HOMO = -0.482155
LUMO = 0.053963
Time after variat. SCF: 0.4
Time prior to 1st pass: 0.4
Memory utilization after 1st SCF pass:
Heap Space remaining (MW): 62.25 62254924
Stack Space remaining (MW): 62.26 62258468
convergence iter energy DeltaE RMS-Dens Diis-err time
---------------- ----- ----------------- --------- --------- --------- ------
COSMO gas phase
d= 0,ls=0.0,diis 1 -312.9325321446 -4.32D+02 1.20D-02 2.33D+00 1.3
d= 0,ls=0.0,diis 2 -312.5602596851 3.72D-01 8.74D-03 6.64D+00 2.2
d= 0,ls=0.0,diis 3 -313.1049653580 -5.45D-01 2.45D-03 2.65D-01 3.1
d= 0,ls=0.0,diis 4 -313.1176261886 -1.27D-02 9.91D-04 1.29D-01 4.0
d= 0,ls=0.0,diis 5 -313.1274754862 -9.85D-03 1.46D-04 2.90D-03 4.9
Resetting Diis
d= 0,ls=0.0,diis 6 -313.1276613077 -1.86D-04 2.20D-05 4.11D-05 5.9
d= 0,ls=0.0,diis 7 -313.1276646224 -3.31D-06 3.31D-06 1.62D-07 6.8
d= 0,ls=0.0,diis 8 -313.1276646091 1.34D-08 2.04D-06 3.56D-07 7.7
Memory utilization after 1st SCF pass:
Heap Space remaining (MW): 62.25 62253836
Stack Space remaining (MW): 62.26 62258468
convergence iter energy DeltaE RMS-Dens Diis-err time
---------------- ----- ----------------- --------- --------- --------- ------
COSMO solvation phase
d= 0,ls=0.0,diis 1 -313.1304153277 -2.75D-03 7.42D-04 1.66D-03 9.0
d= 0,ls=0.0,diis 2 -313.1305060266 -9.07D-05 1.90D-04 4.06D-03 10.2
d= 0,ls=0.0,diis 3 -313.1308562102 -3.50D-04 5.04D-05 5.32D-05 11.5
d= 0,ls=0.0,diis 4 -313.1308602699 -4.06D-06 1.76D-05 1.31D-05 12.7
d= 0,ls=0.0,diis 5 -313.1308612915 -1.02D-06 5.16D-06 2.94D-06 13.9
d= 0,ls=0.0,diis 6 -313.1308615038 -2.12D-07 1.47D-06 3.17D-07 15.1
Total DFT energy = -313.130861503784
One electron energy = -669.221750303056
Coulomb energy = 271.664368959137
Exchange-Corr. energy = -34.915668454296
Nuclear repulsion energy = 119.401450756329
COSMO energy = -0.059262461898
Numeric. integr. density = 32.000001190284
Total iterative time = 14.7s
COSMO solvation results
-----------------------
gas phase energy = -313.127664609084
sol phase energy = -313.130861503784
(electrostatic) solvation energy = 0.003196894700 ( 2.01 kcal/mol)
DFT Final Molecular Orbital Analysis
------------------------------------
Vector 1 Occ=2.000000D+00 E=-2.476949D+01
MO Center= -1.2D+00, 1.5D-02, -1.5D-02, r^2= 3.4D-02
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
1 0.547332 1 F s 2 0.465939 1 F s
88 -0.038473 4 F s 89 -0.032816 4 F s
Vector 2 Occ=2.000000D+00 E=-2.476947D+01
MO Center= 6.0D-01, 7.7D-01, -7.5D-01, r^2= 3.4D-02
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
88 0.547334 4 F s 89 0.465932 4 F s
1 0.038496 1 F s 2 0.032706 1 F s
Vector 3 Occ=2.000000D+00 E=-1.919727D+01
MO Center= 6.6D-01, -8.2D-01, 7.9D-01, r^2= 1.5D-02
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
59 0.552617 3 O s 60 0.463533 3 O s
68 0.032340 3 O s
Vector 4 Occ=2.000000D+00 E=-1.045415D+01
MO Center= 7.3D-02, -9.1D-02, 8.8D-02, r^2= 2.8D-02
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
30 0.565311 2 C s 31 0.453590 2 C s
39 0.075029 2 C s 35 0.026235 2 C s
Vector 5 Occ=2.000000D+00 E=-1.349473D+00
MO Center= -2.3D-01, 2.8D-01, -2.7D-01, r^2= 1.2D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
6 0.372385 1 F s 93 0.372324 4 F s
10 0.258155 1 F s 97 0.258116 4 F s
35 0.165110 2 C s 2 -0.123111 1 F s
89 -0.123088 4 F s 39 0.096550 2 C s
31 -0.080900 2 C s 1 -0.080182 1 F s
Vector 6 Occ=2.000000D+00 E=-1.278656D+00
MO Center= -2.6D-01, 3.3D-01, -3.2D-01, r^2= 1.3D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
6 0.419148 1 F s 93 -0.419207 4 F s
10 0.268936 1 F s 97 -0.268934 4 F s
2 -0.137027 1 F s 89 0.137045 4 F s
1 -0.089190 1 F s 88 0.089202 4 F s
36 -0.080456 2 C px 32 -0.065862 2 C px
Vector 7 Occ=2.000000D+00 E=-1.139141D+00
MO Center= 4.4D-01, -5.5D-01, 5.3D-01, r^2= 6.4D-01
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
64 0.483314 3 O s 68 0.276930 3 O s
35 0.183938 2 C s 60 -0.164386 3 O s
6 -0.107917 1 F s 93 -0.107964 4 F s
59 -0.106986 3 O s 39 0.098703 2 C s
37 -0.088249 2 C py 38 0.085498 2 C pz
Vector 8 Occ=2.000000D+00 E=-7.094096D-01
MO Center= -2.5D-01, 3.1D-01, -3.0D-01, r^2= 1.7D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
35 0.321070 2 C s 7 0.236685 1 F px
10 -0.186543 1 F s 97 -0.186566 4 F s
6 -0.182198 1 F s 93 -0.182185 4 F s
11 0.164285 1 F px 3 0.163210 1 F px
39 0.141445 2 C s 95 -0.141189 4 F py
Vector 9 Occ=2.000000D+00 E=-6.403994D-01
MO Center= -2.1D-01, 2.6D-01, -2.5D-01, r^2= 1.7D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
7 0.239820 1 F px 36 -0.207350 2 C px
95 0.185275 4 F py 96 -0.179520 4 F pz
11 0.171298 1 F px 3 0.165473 1 F px
32 -0.146133 2 C px 10 -0.142100 1 F s
97 0.141991 4 F s 99 0.134905 4 F py
Vector 10 Occ=2.000000D+00 E=-5.899416D-01
MO Center= -1.0D-01, 1.3D-01, -1.3D-01, r^2= 1.6D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
9 0.173658 1 F pz 96 0.173494 4 F pz
8 0.168231 1 F py 95 0.168111 4 F py
38 0.165230 2 C pz 37 0.160061 2 C py
13 0.143946 1 F pz 100 0.143747 4 F pz
12 0.139446 1 F py 99 0.139303 4 F py
Vector 11 Occ=2.000000D+00 E=-5.682265D-01
MO Center= 2.9D-01, -3.7D-01, 3.6D-01, r^2= 2.0D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
64 0.267214 3 O s 68 0.216616 3 O s
94 -0.187111 4 F px 66 -0.149435 3 O py
98 -0.149182 4 F px 67 0.144772 3 O pz
8 0.139768 1 F py 35 -0.139967 2 C s
9 -0.135395 1 F pz 90 -0.130349 4 F px
Vector 12 Occ=2.000000D+00 E=-4.970284D-01
MO Center= 7.4D-02, -9.1D-02, 8.8D-02, r^2= 2.2D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
68 0.281138 3 O s 94 0.184648 4 F px
8 -0.179177 1 F py 9 0.173489 1 F pz
98 0.152294 4 F px 12 -0.148208 1 F py
66 -0.148276 3 O py 13 0.143502 1 F pz
67 0.143642 3 O pz 35 -0.134081 2 C s
Vector 13 Occ=2.000000D+00 E=-4.925602D-01
MO Center= -3.1D-01, 3.8D-01, -3.7D-01, r^2= 1.6D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
9 0.237933 1 F pz 96 -0.237922 4 F pz
8 0.230452 1 F py 95 -0.230571 4 F py
13 0.203003 1 F pz 100 -0.202980 4 F pz
12 0.196626 1 F py 99 -0.196717 4 F py
5 0.165003 1 F pz 92 -0.164993 4 F pz
Vector 14 Occ=2.000000D+00 E=-4.744281D-01
MO Center= -2.5D-01, 3.1D-01, -3.0D-01, r^2= 1.8D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
94 0.331430 4 F px 98 0.279918 4 F px
90 0.229798 4 F px 8 0.208303 1 F py
9 -0.201843 1 F pz 12 0.182049 1 F py
13 -0.176403 1 F pz 7 0.161160 1 F px
4 0.145029 1 F py 5 -0.140532 1 F pz
Vector 15 Occ=2.000000D+00 E=-4.237100D-01
MO Center= 3.2D-01, -4.0D-01, 3.9D-01, r^2= 1.6D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
67 0.251300 3 O pz 66 0.243482 3 O py
71 0.206595 3 O pz 70 0.200164 3 O py
63 0.170485 3 O pz 62 0.165180 3 O py
9 -0.132350 1 F pz 96 -0.132543 4 F pz
8 -0.128260 1 F py 95 -0.128392 4 F py
Vector 16 Occ=2.000000D+00 E=-3.822699D-01
MO Center= 4.5D-01, -5.6D-01, 5.4D-01, r^2= 1.4D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
65 0.348930 3 O px 69 0.300659 3 O px
61 0.239525 3 O px 66 0.144696 3 O py
67 -0.140247 3 O pz 70 0.124725 3 O py
71 -0.120874 3 O pz 95 0.103290 4 F py
96 -0.100037 4 F pz 62 0.099333 3 O py
Vector 17 Occ=0.000000D+00 E=-3.916173D-02
MO Center= 1.9D-01, -2.3D-01, 2.2D-01, r^2= 1.5D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
42 0.455325 2 C pz 41 0.441228 2 C py
38 0.323604 2 C pz 37 0.313533 2 C py
71 -0.238864 3 O pz 70 -0.231394 3 O py
34 0.207609 2 C pz 33 0.201142 2 C py
67 -0.191018 3 O pz 66 -0.185059 3 O py
Vector 18 Occ=0.000000D+00 E=-9.818635D-03
MO Center= 1.4D-02, -1.5D-02, 1.5D-02, r^2= 7.1D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
43 1.989072 2 C s 39 1.849964 2 C s
72 -1.022092 3 O s 101 -0.647219 4 F s
14 -0.642352 1 F s 15 -0.211546 1 F px
53 -0.192831 2 C dxx 74 -0.189405 3 O py
75 0.183434 3 O pz 35 -0.171233 2 C s
Vector 19 Occ=0.000000D+00 E= 4.844489D-02
MO Center= 2.3D-01, -2.8D-01, 2.7D-01, r^2= 1.2D+01
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
72 2.373962 3 O s 45 1.182330 2 C py
46 -1.144237 2 C pz 44 -0.988106 2 C px
43 -0.733155 2 C s 14 -0.718426 1 F s
39 -0.698296 2 C s 101 -0.684965 4 F s
41 0.528787 2 C py 42 -0.512405 2 C pz
Vector 20 Occ=0.000000D+00 E= 5.168560D-02
MO Center= 3.6D-02, -5.6D-02, 5.4D-02, r^2= 1.1D+01
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
44 1.508540 2 C px 101 -0.994145 4 F s
14 0.969508 1 F s 45 0.657087 2 C py
46 -0.633845 2 C pz 40 0.400522 2 C px
73 -0.360687 3 O px 41 0.179961 2 C py
42 -0.174573 2 C pz 15 0.153800 1 F px
Vector 21 Occ=0.000000D+00 E= 5.596623D-02
MO Center= 3.7D-02, -4.7D-02, 4.6D-02, r^2= 1.0D+01
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
46 1.006562 2 C pz 45 0.971853 2 C py
75 -0.171730 3 O pz 74 -0.166433 3 O py
17 -0.105728 1 F pz 104 -0.105865 4 F pz
103 -0.103204 4 F py 16 -0.102004 1 F py
42 -0.078254 2 C pz 41 -0.077036 2 C py
Vector 22 Occ=0.000000D+00 E= 1.261053D-01
MO Center= -1.4D-01, 1.8D-01, -1.8D-01, r^2= 5.2D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
72 2.316488 3 O s 43 -2.099949 2 C s
39 -0.990957 2 C s 35 0.926039 2 C s
74 0.760723 3 O py 75 -0.736950 3 O pz
10 -0.685416 1 F s 97 -0.686878 4 F s
73 -0.611812 3 O px 41 0.542534 2 C py
Vector 23 Occ=0.000000D+00 E= 1.549326D-01
MO Center= 2.1D-01, -2.6D-01, 2.5D-01, r^2= 6.8D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
40 1.480277 2 C px 73 -1.004670 3 O px
15 0.858192 1 F px 101 -0.790104 4 F s
14 0.783253 1 F s 10 0.744825 1 F s
97 -0.745366 4 F s 41 0.611020 2 C py
103 0.608123 4 F py 42 -0.591894 2 C pz
Vector 24 Occ=0.000000D+00 E= 1.647938D-01
MO Center= 7.3D-01, -9.1D-01, 8.8D-01, r^2= 6.6D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
39 5.327411 2 C s 74 -1.435693 3 O py
68 -1.396817 3 O s 75 1.390931 3 O pz
72 -1.328152 3 O s 73 1.158829 3 O px
35 -0.660287 2 C s 43 -0.644499 2 C s
41 -0.585630 2 C py 42 0.567395 2 C pz
Vector 25 Occ=0.000000D+00 E= 1.952607D-01
MO Center= 4.7D-01, -5.8D-01, 5.6D-01, r^2= 7.0D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
75 1.248997 3 O pz 74 1.209422 3 O py
46 -0.502283 2 C pz 45 -0.487477 2 C py
71 -0.360520 3 O pz 70 -0.349321 3 O py
17 -0.231493 1 F pz 104 -0.227583 4 F pz
16 -0.224691 1 F py 103 -0.219155 4 F py
Vector 26 Occ=0.000000D+00 E= 2.055669D-01
MO Center= -3.9D-01, 4.8D-01, -4.6D-01, r^2= 7.2D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
39 6.307224 2 C s 72 -2.005207 3 O s
68 1.517257 3 O s 15 -1.505862 1 F px
14 -1.344581 1 F s 101 -1.339194 4 F s
35 -1.186749 2 C s 102 1.040237 4 F px
41 0.846932 2 C py 43 0.826046 2 C s
Vector 27 Occ=0.000000D+00 E= 2.313619D-01
MO Center= -3.1D-01, 3.9D-01, -3.7D-01, r^2= 6.0D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
17 0.820015 1 F pz 104 -0.817875 4 F pz
16 0.794657 1 F py 103 -0.792579 4 F py
13 -0.245382 1 F pz 100 0.245057 4 F pz
12 -0.237800 1 F py 99 0.237378 4 F py
9 -0.061874 1 F pz 96 0.061822 4 F pz
Vector 28 Occ=0.000000D+00 E= 2.522207D-01
MO Center= 2.8D-01, -2.2D-01, 2.2D-01, r^2= 4.7D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
101 1.315209 4 F s 44 -1.209851 2 C px
14 -1.114623 1 F s 73 1.094560 3 O px
69 -0.571342 3 O px 72 0.521148 3 O s
74 0.522651 3 O py 75 -0.506485 3 O pz
39 -0.492297 2 C s 97 -0.422584 4 F s
Vector 29 Occ=0.000000D+00 E= 2.534828D-01
MO Center= 4.8D-01, -7.1D-01, 6.9D-01, r^2= 7.7D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
72 -7.207569 3 O s 39 6.809497 2 C s
43 3.818451 2 C s 14 -1.474142 1 F s
101 -1.299807 4 F s 45 -0.920529 2 C py
46 0.891382 2 C pz 35 -0.796499 2 C s
41 -0.773158 2 C py 42 0.748884 2 C pz
Vector 30 Occ=0.000000D+00 E= 2.784557D-01
MO Center= -1.5D-01, 1.9D-01, -1.8D-01, r^2= 8.4D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
73 1.580012 3 O px 15 1.530990 1 F px
103 1.280405 4 F py 104 -1.240276 4 F pz
44 -1.082477 2 C px 101 -0.972164 4 F s
14 0.960318 1 F s 16 -0.652879 1 F py
74 0.655397 3 O py 17 0.632577 1 F pz
Vector 31 Occ=0.000000D+00 E= 2.868999D-01
MO Center= -1.8D-01, 2.3D-01, -2.2D-01, r^2= 8.7D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
46 1.369409 2 C pz 45 1.326042 2 C py
17 -1.003174 1 F pz 104 -1.005841 4 F pz
16 -0.971656 1 F py 103 -0.974426 4 F py
75 -0.896471 3 O pz 74 -0.868310 3 O py
42 0.499439 2 C pz 41 0.483069 2 C py
Vector 32 Occ=0.000000D+00 E= 2.932550D-01
MO Center= -6.8D-01, 8.5D-01, -8.2D-01, r^2= 7.3D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
39 4.023528 2 C s 14 -3.565163 1 F s
101 -3.559506 4 F s 72 1.983989 3 O s
45 1.498337 2 C py 46 -1.451458 2 C pz
41 1.342573 2 C py 42 -1.300649 2 C pz
44 -1.201164 2 C px 43 1.118955 2 C s
Vector 33 Occ=0.000000D+00 E= 3.118817D-01
MO Center= -5.1D-02, 6.3D-02, -6.1D-02, r^2= 8.7D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
44 1.689819 2 C px 102 -1.615395 4 F px
101 -1.359681 4 F s 14 1.335466 1 F s
16 -0.986537 1 F py 17 0.955894 1 F pz
40 0.872790 2 C px 15 -0.852860 1 F px
45 0.698845 2 C py 46 -0.677129 2 C pz
Vector 34 Occ=0.000000D+00 E= 3.261704D-01
MO Center= 4.1D-02, -6.3D-02, 6.1D-02, r^2= 7.2D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
39 4.401812 2 C s 72 4.190916 3 O s
14 -3.695710 1 F s 101 -3.657026 4 F s
15 -2.070810 1 F px 103 1.735423 4 F py
104 -1.681244 4 F pz 74 1.602493 3 O py
75 -1.552318 3 O pz 73 -1.287330 3 O px
Vector 35 Occ=0.000000D+00 E= 3.680414D-01
MO Center= -3.7D-01, 4.6D-01, -4.5D-01, r^2= 5.5D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
14 5.559496 1 F s 101 -5.586755 4 F s
15 2.655596 1 F px 102 1.884818 4 F px
40 1.622502 2 C px 10 -1.481696 1 F s
97 1.483204 4 F s 103 1.431765 4 F py
104 -1.387134 4 F pz 41 0.681249 2 C py
Vector 36 Occ=0.000000D+00 E= 4.572785D-01
MO Center= 1.3D-01, -1.6D-01, 1.6D-01, r^2= 4.2D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
39 18.962121 2 C s 72 -5.800122 3 O s
35 -4.798995 2 C s 56 -2.545739 2 C dyy
53 -2.528652 2 C dxx 58 -2.538647 2 C dzz
14 -1.780709 1 F s 101 -1.780037 4 F s
68 -1.534483 3 O s 74 -1.227493 3 O py
Vector 37 Occ=0.000000D+00 E= 5.089154D-01
MO Center= -3.3D-02, 4.0D-02, -3.9D-02, r^2= 3.5D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
39 14.121286 2 C s 35 -4.982687 2 C s
14 -4.015242 1 F s 101 -4.007763 4 F s
41 3.235752 2 C py 42 -3.134463 2 C pz
40 -2.603031 2 C px 53 -2.558528 2 C dxx
56 -2.486044 2 C dyy 58 -2.478801 2 C dzz
Vector 38 Occ=0.000000D+00 E= 5.449477D-01
MO Center= 1.0D-01, -1.3D-01, 1.3D-01, r^2= 3.8D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
42 1.919510 2 C pz 41 1.860061 2 C py
38 -0.612747 2 C pz 75 -0.607758 3 O pz
37 -0.593726 2 C py 74 -0.588469 3 O py
17 -0.520484 1 F pz 104 -0.520584 4 F pz
16 -0.504258 1 F py 103 -0.504119 4 F py
Vector 39 Occ=0.000000D+00 E= 6.357640D-01
MO Center= 4.2D-01, -5.2D-01, 5.0D-01, r^2= 4.0D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
39 8.063046 2 C s 72 -7.906850 3 O s
41 -4.486486 2 C py 42 4.346822 2 C pz
68 -4.048619 3 O s 40 3.634054 2 C px
35 -2.170808 2 C s 14 2.105758 1 F s
101 2.063194 4 F s 74 -1.915837 3 O py
Vector 40 Occ=0.000000D+00 E= 6.673285D-01
MO Center= 9.4D-02, -1.2D-01, 1.2D-01, r^2= 4.8D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
40 6.907149 2 C px 14 6.699758 1 F s
101 -6.714906 4 F s 41 2.882590 2 C py
42 -2.792889 2 C pz 15 2.515564 1 F px
103 1.767816 4 F py 104 -1.712612 4 F pz
10 1.529796 1 F s 97 -1.537040 4 F s
Vector 41 Occ=0.000000D+00 E= 6.918591D-01
MO Center= 9.2D-02, -1.1D-01, 1.1D-01, r^2= 1.9D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
55 1.241942 2 C dxz 54 1.203583 2 C dxy
56 0.498389 2 C dyy 58 -0.498030 2 C dzz
13 0.208571 1 F pz 100 -0.208424 4 F pz
12 0.201982 1 F py 99 -0.201657 4 F py
17 0.160483 1 F pz 104 -0.160716 4 F pz
Vector 42 Occ=0.000000D+00 E= 7.788964D-01
MO Center= 3.8D-02, -4.8D-02, 4.6D-02, r^2= 2.0D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
56 1.065930 2 C dyy 58 -1.065725 2 C dzz
55 -0.883471 2 C dxz 54 -0.855834 2 C dxy
71 0.708358 3 O pz 70 0.686327 3 O py
75 -0.194604 3 O pz 74 -0.188536 3 O py
13 -0.181529 1 F pz 100 -0.181882 4 F pz
Vector 43 Occ=0.000000D+00 E= 9.132326D-01
MO Center= 1.5D-02, -1.9D-02, 1.8D-02, r^2= 3.2D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
39 12.019274 2 C s 68 5.468896 3 O s
14 -4.695084 1 F s 101 -4.688604 4 F s
35 -3.539959 2 C s 41 3.523024 2 C py
42 -3.413166 2 C pz 40 -2.836075 2 C px
58 -2.152374 2 C dzz 56 -2.115671 2 C dyy
Vector 44 Occ=0.000000D+00 E= 9.693558D-01
MO Center= 8.8D-01, -1.1D+00, 1.1D+00, r^2= 3.5D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
72 7.829613 3 O s 41 3.434003 2 C py
42 -3.326990 2 C pz 39 -2.936568 2 C s
40 -2.760557 2 C px 70 2.369481 3 O py
71 -2.295242 3 O pz 43 -1.984943 2 C s
69 -1.908135 3 O px 14 -1.674345 1 F s
Vector 45 Occ=0.000000D+00 E= 1.007632D+00
MO Center= 6.0D-01, -7.5D-01, 7.3D-01, r^2= 3.0D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
10 2.074573 1 F s 97 -2.073701 4 F s
69 2.006599 3 O px 53 -1.579923 2 C dxx
57 -1.574311 2 C dyz 73 -1.355591 3 O px
54 1.311727 2 C dxy 55 -1.270862 2 C dxz
11 1.125105 1 F px 70 0.838626 3 O py
Vector 46 Occ=0.000000D+00 E= 1.026298D+00
MO Center= 6.6D-01, -8.2D-01, 8.0D-01, r^2= 2.6D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
71 1.405442 3 O pz 70 1.358885 3 O py
75 -0.861146 3 O pz 74 -0.833775 3 O py
67 -0.596610 3 O pz 66 -0.577714 3 O py
46 0.346438 2 C pz 45 0.335084 2 C py
63 -0.182327 3 O pz 62 -0.176541 3 O py
Vector 47 Occ=0.000000D+00 E= 1.060735D+00
MO Center= 2.8D-01, -3.5D-01, 3.4D-01, r^2= 3.4D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
68 12.067700 3 O s 39 -10.454926 2 C s
70 2.511914 3 O py 64 -2.455495 3 O s
71 -2.432939 3 O pz 57 2.336826 2 C dyz
41 2.140205 2 C py 42 -2.073558 2 C pz
69 -2.019968 3 O px 40 -1.722716 2 C px
Vector 48 Occ=0.000000D+00 E= 1.162241D+00
MO Center= -1.5D-01, 1.8D-01, -1.8D-01, r^2= 2.5D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
68 5.315115 3 O s 41 3.080480 2 C py
42 -2.984453 2 C pz 10 -2.937759 1 F s
97 -2.932948 4 F s 40 -2.478281 2 C px
54 1.917393 2 C dxy 55 -1.857636 2 C dxz
72 1.771330 3 O s 39 -1.315862 2 C s
Vector 49 Occ=0.000000D+00 E= 1.235481D+00
MO Center= -2.4D-01, 3.1D-01, -3.0D-01, r^2= 4.6D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
14 5.507929 1 F s 101 -5.517785 4 F s
40 4.807556 2 C px 41 1.999326 2 C py
42 -1.937005 2 C pz 11 1.871691 1 F px
53 -1.285903 2 C dxx 57 -1.284063 2 C dyz
99 1.269402 4 F py 100 -1.230251 4 F pz
Vector 50 Occ=0.000000D+00 E= 1.252687D+00
MO Center= -2.9D-01, 3.6D-01, -3.5D-01, r^2= 3.0D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
13 0.900304 1 F pz 100 -0.898194 4 F pz
12 0.871779 1 F py 99 -0.870012 4 F py
17 -0.492683 1 F pz 104 0.491920 4 F pz
16 -0.477358 1 F py 103 0.475637 4 F py
9 -0.401257 1 F pz 96 0.400622 4 F pz
Vector 51 Occ=0.000000D+00 E= 1.255310D+00
MO Center= -2.9D-01, 3.6D-01, -3.5D-01, r^2= 4.6D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
39 4.884903 2 C s 68 -3.611387 3 O s
10 -2.875699 1 F s 97 -2.889695 4 F s
14 2.061212 1 F s 101 2.037564 4 F s
72 -1.873850 3 O s 41 -1.412089 2 C py
42 1.368069 2 C pz 40 1.154745 2 C px
Vector 52 Occ=0.000000D+00 E= 1.277805D+00
MO Center= 3.7D-03, -7.4D-03, 7.3D-03, r^2= 3.6D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
10 5.600654 1 F s 97 -5.590315 4 F s
40 3.899761 2 C px 41 1.617794 2 C py
42 -1.567369 2 C pz 6 -1.336037 1 F s
93 1.332582 4 F s 11 1.209647 1 F px
53 -1.210774 2 C dxx 57 -1.208927 2 C dyz
Vector 53 Occ=0.000000D+00 E= 1.312303D+00
MO Center= -2.9D-01, 3.6D-01, -3.5D-01, r^2= 3.5D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
13 0.991534 1 F pz 100 0.993171 4 F pz
12 0.960747 1 F py 99 0.962511 4 F py
17 -0.633316 1 F pz 104 -0.634236 4 F pz
16 -0.613679 1 F py 103 -0.614706 4 F py
46 0.553414 2 C pz 45 0.536326 2 C py
Vector 54 Occ=0.000000D+00 E= 1.345926D+00
MO Center= -7.9D-02, 9.9D-02, -9.6D-02, r^2= 3.2D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
39 15.762052 2 C s 35 -5.085043 2 C s
68 4.610550 3 O s 53 -3.938070 2 C dxx
56 -3.875335 2 C dyy 58 -3.894009 2 C dzz
41 2.111403 2 C py 42 -2.045566 2 C pz
14 -2.007850 1 F s 101 -2.002139 4 F s
Vector 55 Occ=0.000000D+00 E= 1.363627D+00
MO Center= -1.7D-01, 2.6D-01, -2.5D-01, r^2= 3.6D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
39 11.980445 2 C s 72 -4.053022 3 O s
35 -2.981886 2 C s 68 -2.768358 3 O s
56 -2.558992 2 C dyy 58 -2.560702 2 C dzz
53 -2.458598 2 C dxx 41 -1.854365 2 C py
42 1.796551 2 C pz 40 1.505671 2 C px
Vector 56 Occ=0.000000D+00 E= 1.365988D+00
MO Center= -3.0D-01, 3.2D-01, -3.1D-01, r^2= 3.3D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
12 0.997837 1 F py 98 0.999033 4 F px
13 -0.966801 1 F pz 102 -0.897195 4 F px
97 0.852888 4 F s 40 -0.819353 2 C px
10 -0.814096 1 F s 99 -0.677508 4 F py
100 0.656374 4 F pz 16 -0.646787 1 F py
Vector 57 Occ=0.000000D+00 E= 1.434099D+00
MO Center= -2.3D-01, 2.9D-01, -2.8D-01, r^2= 2.7D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
14 1.984937 1 F s 101 -1.986833 4 F s
15 1.440504 1 F px 10 -1.319183 1 F s
97 1.321188 4 F s 102 1.088473 4 F px
11 -1.078160 1 F px 40 0.894688 2 C px
98 -0.855674 4 F px 103 0.743326 4 F py
Vector 58 Occ=0.000000D+00 E= 1.458829D+00
MO Center= -4.3D-02, 5.3D-02, -5.1D-02, r^2= 2.7D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
39 8.538704 2 C s 35 -5.082534 2 C s
10 4.847052 1 F s 97 4.847430 4 F s
53 -4.105633 2 C dxx 56 -3.800944 2 C dyy
58 -3.727691 2 C dzz 68 3.282982 3 O s
57 2.311732 2 C dyz 11 2.188214 1 F px
Vector 59 Occ=0.000000D+00 E= 1.539503D+00
MO Center= 4.5D-01, -5.6D-01, 5.4D-01, r^2= 1.8D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
84 1.031715 3 O dxz 83 0.999553 3 O dxy
85 0.414528 3 O dyy 87 -0.414451 3 O dzz
55 -0.402115 2 C dxz 54 -0.389570 2 C dxy
13 -0.273413 1 F pz 100 0.273555 4 F pz
12 -0.264848 1 F py 99 0.264988 4 F py
Vector 60 Occ=0.000000D+00 E= 1.698777D+00
MO Center= 3.7D-01, -4.7D-01, 4.5D-01, r^2= 2.1D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
10 3.297573 1 F s 97 3.298116 4 F s
39 3.021469 2 C s 53 -2.758006 2 C dxx
35 -2.426137 2 C s 72 -2.176721 3 O s
56 -1.664144 2 C dyy 58 -1.615857 2 C dzz
57 1.522993 2 C dyz 68 1.454604 3 O s
Vector 61 Occ=0.000000D+00 E= 1.736531D+00
MO Center= 2.1D-01, -2.6D-01, 2.5D-01, r^2= 2.1D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
85 0.725469 3 O dyy 87 -0.725465 3 O dzz
84 -0.601979 3 O dxz 83 -0.583156 3 O dxy
71 0.511658 3 O pz 70 0.495796 3 O py
56 0.475439 2 C dyy 58 -0.475552 2 C dzz
55 -0.394574 2 C dxz 113 -0.389498 4 F dxz
Vector 62 Occ=0.000000D+00 E= 1.858837D+00
MO Center= 1.4D-01, -1.8D-01, 1.7D-01, r^2= 2.2D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
69 0.831674 3 O px 82 -0.699674 3 O dxx
86 -0.699350 3 O dyz 53 -0.694250 2 C dxx
57 -0.693367 2 C dyz 28 -0.678365 1 F dyz
115 0.653582 4 F dyz 83 0.580309 3 O dxy
54 0.575611 2 C dxy 84 -0.562188 3 O dxz
Vector 63 Occ=0.000000D+00 E= 1.934488D+00
MO Center= -3.1D-01, 3.9D-01, -3.8D-01, r^2= 1.7D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
113 0.874289 4 F dxz 112 0.847027 4 F dxy
27 0.521133 1 F dyy 29 -0.521128 1 F dzz
26 0.451333 1 F dxz 25 0.437263 1 F dxy
55 0.122318 2 C dxz 54 0.118511 2 C dxy
49 -0.109591 2 C dxz 48 -0.106175 2 C dxy
Vector 64 Occ=0.000000D+00 E= 2.051537D+00
MO Center= -7.9D-02, 9.8D-02, -9.5D-02, r^2= 2.0D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
42 0.640862 2 C pz 41 0.620861 2 C py
26 -0.566070 1 F dxz 25 -0.548472 1 F dxy
114 0.503655 4 F dyy 116 -0.503696 4 F dzz
85 -0.424941 3 O dyy 87 0.424951 3 O dzz
71 -0.371275 3 O pz 70 -0.359688 3 O py
Vector 65 Occ=0.000000D+00 E= 2.090510D+00
MO Center= -3.0D-01, 3.7D-01, -3.6D-01, r^2= 1.6D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
40 0.942177 2 C px 28 0.755152 1 F dyz
111 0.668686 4 F dxx 14 0.629258 1 F s
25 -0.629783 1 F dxy 101 -0.629362 4 F s
26 0.610194 1 F dxz 41 0.390992 2 C py
42 -0.378847 2 C pz 53 -0.345922 2 C dxx
Vector 66 Occ=0.000000D+00 E= 2.157984D+00
MO Center= -1.4D-01, 1.8D-01, -1.7D-01, r^2= 2.1D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
39 2.330604 2 C s 53 -1.996711 2 C dxx
68 1.973633 3 O s 10 1.780256 1 F s
97 1.779019 4 F s 57 1.558349 2 C dyz
35 -1.440762 2 C s 56 -1.228004 2 C dyy
58 -1.178631 2 C dzz 28 -1.126423 1 F dyz
Vector 67 Occ=0.000000D+00 E= 2.358586D+00
MO Center= -1.2D-01, 1.6D-01, -1.5D-01, r^2= 2.1D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
55 1.152257 2 C dxz 54 1.116448 2 C dxy
26 0.817509 1 F dxz 25 0.792040 1 F dxy
114 0.660105 4 F dyy 116 -0.660121 4 F dzz
84 -0.475924 3 O dxz 56 0.462502 2 C dyy
58 -0.462552 2 C dzz 83 -0.461129 3 O dxy
Vector 68 Occ=0.000000D+00 E= 2.413822D+00
MO Center= -1.2D-01, 1.5D-01, -1.5D-01, r^2= 2.2D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
56 1.069307 2 C dyy 58 -1.069277 2 C dzz
55 -0.886792 2 C dxz 54 -0.859067 2 C dxy
113 0.836354 4 F dxz 112 0.810241 4 F dxy
71 0.751445 3 O pz 70 0.728041 3 O py
26 -0.659744 1 F dxz 25 -0.639153 1 F dxy
Vector 69 Occ=0.000000D+00 E= 2.487319D+00
MO Center= 5.7D-01, -7.1D-01, 6.8D-01, r^2= 1.9D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
68 11.189322 3 O s 35 -3.866226 2 C s
41 3.688973 2 C py 42 -3.573957 2 C pz
70 3.382791 3 O py 71 -3.277322 3 O pz
72 3.214457 3 O s 40 -2.966073 2 C px
69 -2.719410 3 O px 86 -2.080888 3 O dyz
Vector 70 Occ=0.000000D+00 E= 2.530396D+00
MO Center= -9.0D-02, 1.1D-01, -1.1D-01, r^2= 1.9D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
10 2.884525 1 F s 97 -2.885122 4 F s
40 2.860022 2 C px 53 -1.891072 2 C dxx
57 -1.890159 2 C dyz 14 1.875134 1 F s
101 -1.875587 4 F s 11 1.732491 1 F px
54 1.568790 2 C dxy 55 -1.519853 2 C dxz
Vector 71 Occ=0.000000D+00 E= 2.741355D+00
MO Center= 1.9D-01, -2.4D-01, 2.3D-01, r^2= 2.4D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
53 2.010286 2 C dxx 57 2.008900 2 C dyz
69 -1.685200 3 O px 54 -1.666670 2 C dxy
55 1.614699 2 C dxz 56 -1.036743 2 C dyy
58 -0.973135 2 C dzz 82 0.933818 3 O dxx
86 0.933231 3 O dyz 115 0.814815 4 F dyz
Vector 72 Occ=0.000000D+00 E= 2.790645D+00
MO Center= -4.2D-02, 5.2D-02, -5.0D-02, r^2= 2.0D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
68 6.320966 3 O s 10 3.814340 1 F s
97 3.814548 4 F s 35 -3.315301 2 C s
39 -3.023876 2 C s 53 -2.541983 2 C dxx
57 2.167260 2 C dyz 11 2.008435 1 F px
70 1.439393 3 O py 99 -1.433892 4 F py
Vector 73 Occ=0.000000D+00 E= 2.808183D+00
MO Center= 2.4D-02, -3.0D-02, 2.9D-02, r^2= 1.2D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
38 1.346261 2 C pz 37 1.304280 2 C py
34 -0.880149 2 C pz 33 -0.852673 2 C py
42 -0.649168 2 C pz 41 -0.628838 2 C py
26 -0.491490 1 F dxz 25 -0.476069 1 F dxy
114 0.304321 4 F dyy 116 -0.304297 4 F dzz
Vector 74 Occ=0.000000D+00 E= 2.994414D+00
MO Center= 6.3D-01, -7.8D-01, 7.6D-01, r^2= 1.9D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
68 5.322908 3 O s 72 -2.925583 3 O s
85 -2.497209 3 O dyy 87 -2.491983 3 O dzz
82 -2.411197 3 O dxx 57 -1.533523 2 C dyz
64 -1.421618 3 O s 54 -1.387383 2 C dxy
55 1.344107 2 C dxz 43 0.949687 2 C s
Vector 75 Occ=0.000000D+00 E= 3.100828D+00
MO Center= -2.6D-01, 3.3D-01, -3.2D-01, r^2= 2.0D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
68 2.775636 3 O s 54 2.557604 2 C dxy
57 2.495461 2 C dyz 55 -2.477851 2 C dxz
10 1.683807 1 F s 97 1.683068 4 F s
35 -1.621373 2 C s 56 -1.524330 2 C dyy
58 -1.445251 2 C dzz 98 -1.390589 4 F px
Vector 76 Occ=0.000000D+00 E= 3.194038D+00
MO Center= 4.5D-02, -5.6D-02, 5.5D-02, r^2= 7.2D-01
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
49 1.214471 2 C dxz 48 1.176723 2 C dxy
55 -0.589087 2 C dxz 54 -0.571062 2 C dxy
50 0.487534 2 C dyy 52 -0.487481 2 C dzz
56 -0.236685 2 C dyy 58 0.236530 2 C dzz
26 0.224763 1 F dxz 25 0.217836 1 F dxy
Vector 77 Occ=0.000000D+00 E= 3.200909D+00
MO Center= 8.6D-02, -1.1D-01, 1.0D-01, r^2= 1.1D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
36 2.260609 2 C px 10 1.608298 1 F s
97 -1.608463 4 F s 53 -1.170345 2 C dxx
57 -1.170528 2 C dyz 11 1.064720 1 F px
32 -1.045316 2 C px 54 0.969366 2 C dxy
37 0.936424 2 C py 55 -0.939319 2 C dxz
Vector 78 Occ=0.000000D+00 E= 3.246077D+00
MO Center= 1.2D-01, -1.5D-01, 1.4D-01, r^2= 8.0D-01
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
50 0.856263 2 C dyy 52 -0.856240 2 C dzz
49 -0.709826 2 C dxz 48 -0.687801 2 C dxy
56 -0.314144 2 C dyy 58 0.313992 2 C dzz
85 0.295562 3 O dyy 87 -0.295668 3 O dzz
55 0.260156 2 C dxz 54 0.252337 2 C dxy
Vector 79 Occ=0.000000D+00 E= 3.252908D+00
MO Center= 1.1D-01, -1.4D-01, 1.4D-01, r^2= 1.1D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
68 5.937898 3 O s 39 2.155839 2 C s
54 2.130314 2 C dxy 55 -2.063954 2 C dxz
41 1.761604 2 C py 35 -1.742349 2 C s
42 -1.706670 2 C pz 37 1.428078 2 C py
56 -1.432999 2 C dyy 40 -1.415538 2 C px
Vector 80 Occ=0.000000D+00 E= 3.518048D+00
MO Center= 4.7D-02, -5.8D-02, 5.6D-02, r^2= 1.5D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
39 6.471859 2 C s 35 -2.880659 2 C s
68 -2.474517 3 O s 10 2.419953 1 F s
97 2.419808 4 F s 53 -1.672750 2 C dxx
51 1.622597 2 C dyz 58 -1.304025 2 C dzz
56 -1.272912 2 C dyy 54 -1.088907 2 C dxy
Vector 81 Occ=0.000000D+00 E= 3.830034D+00
MO Center= 6.3D-02, -7.9D-02, 7.6D-02, r^2= 1.6D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
10 4.031906 1 F s 97 4.024707 4 F s
68 -2.188608 3 O s 37 -1.940164 2 C py
38 1.879668 2 C pz 36 1.561100 2 C px
11 1.553024 1 F px 39 1.085238 2 C s
48 -1.001945 2 C dxy 49 0.970710 2 C dxz
Vector 82 Occ=0.000000D+00 E= 3.850345D+00
MO Center= -2.1D-01, 2.6D-01, -2.5D-01, r^2= 2.0D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
10 5.392277 1 F s 97 -5.397347 4 F s
36 1.850495 2 C px 27 -1.585498 1 F dyy
29 -1.587682 1 F dzz 14 -1.494414 1 F s
101 1.495482 4 F s 11 1.438699 1 F px
111 1.434637 4 F dxx 116 1.206087 4 F dzz
Vector 83 Occ=0.000000D+00 E= 4.122791D+00
MO Center= -2.9D-01, 3.6D-01, -3.5D-01, r^2= 2.3D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
10 4.147017 1 F s 97 4.148386 4 F s
39 -2.373320 2 C s 24 -1.607324 1 F dxx
114 -1.395990 4 F dyy 68 1.385821 3 O s
116 -1.387537 4 F dzz 111 -1.315307 4 F dxx
27 -1.244377 1 F dyy 29 -1.245204 1 F dzz
Vector 84 Occ=0.000000D+00 E= 4.180974D+00
MO Center= -2.4D-01, 3.0D-01, -2.9D-01, r^2= 2.2D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
10 1.563926 1 F s 97 -1.561963 4 F s
24 -1.476987 1 F dxx 36 -1.369683 2 C px
11 -1.038542 1 F px 114 1.017079 4 F dyy
116 0.993952 4 F dzz 14 -0.943069 1 F s
101 0.942590 4 F s 111 0.732508 4 F dxx
Vector 85 Occ=0.000000D+00 E= 4.953810D+00
MO Center= 6.5D-01, -8.1D-01, 7.8D-01, r^2= 6.1D-01
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
67 1.120598 3 O pz 66 1.085699 3 O py
63 -0.913209 3 O pz 62 -0.884767 3 O py
71 -0.704344 3 O pz 70 -0.682414 3 O py
75 0.321330 3 O pz 74 0.311320 3 O py
46 -0.152466 2 C pz 45 -0.147713 2 C py
Vector 86 Occ=0.000000D+00 E= 5.082721D+00
MO Center= 6.2D-01, -7.7D-01, 7.5D-01, r^2= 6.7D-01
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
40 1.628940 2 C px 65 1.434018 3 O px
14 1.350478 1 F s 101 -1.350535 4 F s
61 -1.106141 3 O px 69 -0.817393 3 O px
41 0.675557 2 C py 42 -0.654503 2 C pz
10 0.632235 1 F s 97 -0.632369 4 F s
Vector 87 Occ=0.000000D+00 E= 6.058504D+00
MO Center= 3.0D-01, -3.8D-01, 3.7D-01, r^2= 1.5D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
35 2.402959 2 C s 39 -2.033907 2 C s
68 -1.319091 3 O s 66 -1.264647 3 O py
37 -1.230692 2 C py 67 1.225219 3 O pz
38 1.192322 2 C pz 65 1.016579 3 O px
36 0.989291 2 C px 86 0.963880 3 O dyz
Vector 88 Occ=0.000000D+00 E= 6.210271D+00
MO Center= -3.2D-01, 4.0D-01, -3.8D-01, r^2= 1.6D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
9 0.776290 1 F pz 96 -0.773173 4 F pz
8 0.752101 1 F py 95 -0.749061 4 F py
5 -0.640143 1 F pz 92 0.637585 4 F pz
4 -0.620196 1 F py 91 0.617702 4 F py
13 -0.486132 1 F pz 100 0.484087 4 F pz
Vector 89 Occ=0.000000D+00 E= 6.225733D+00
MO Center= -3.1D-01, 4.0D-01, -3.8D-01, r^2= 1.6D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
9 0.780027 1 F pz 96 0.783150 4 F pz
8 0.755738 1 F py 95 0.758731 4 F py
5 -0.639015 1 F pz 92 -0.641585 4 F pz
4 -0.619117 1 F py 91 -0.621581 4 F py
13 -0.512582 1 F pz 100 -0.514545 4 F pz
Vector 90 Occ=0.000000D+00 E= 6.283634D+00
MO Center= -3.1D-01, 3.9D-01, -3.8D-01, r^2= 1.6D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
68 1.745389 3 O s 72 1.056928 3 O s
94 -1.021226 4 F px 41 0.979521 2 C py
42 -0.948981 2 C pz 90 0.833200 4 F px
40 -0.787763 2 C px 8 0.779657 1 F py
9 -0.755378 1 F pz 4 -0.631815 1 F py
Vector 91 Occ=0.000000D+00 E= 6.301479D+00
MO Center= -3.3D-01, 4.0D-01, -3.9D-01, r^2= 1.7D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
94 1.039367 4 F px 90 -0.826544 4 F px
8 0.794412 1 F py 9 -0.769660 1 F pz
98 -0.759459 4 F px 4 -0.634358 1 F py
5 0.614594 1 F pz 12 -0.549260 1 F py
13 0.532147 1 F pz 102 0.520907 4 F px
Vector 92 Occ=0.000000D+00 E= 6.592942D+00
MO Center= 5.2D-02, -6.5D-02, 6.3D-02, r^2= 1.9D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
68 2.288706 3 O s 35 -1.630145 2 C s
37 1.212663 2 C py 57 1.209605 2 C dyz
10 1.172863 1 F s 38 -1.174854 2 C pz
97 1.172878 4 F s 53 -1.149367 2 C dxx
56 -1.093215 2 C dyy 58 -1.054895 2 C dzz
Vector 93 Occ=0.000000D+00 E= 6.728486D+00
MO Center= 6.5D-01, -8.1D-01, 7.9D-01, r^2= 3.5D-01
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
78 1.219091 3 O dxz 77 1.181103 3 O dxy
84 -0.633592 3 O dxz 83 -0.613862 3 O dxy
79 0.489767 3 O dyy 81 -0.489775 3 O dzz
85 -0.254554 3 O dyy 87 0.254554 3 O dzz
55 0.238969 2 C dxz 54 0.231524 2 C dxy
Vector 94 Occ=0.000000D+00 E= 6.778285D+00
MO Center= -2.4D-01, 3.0D-01, -2.9D-01, r^2= 1.4D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
7 1.177114 1 F px 3 -0.863348 1 F px
95 0.790743 4 F py 96 -0.766080 4 F pz
36 0.734754 2 C px 91 -0.581122 4 F py
92 0.562997 4 F pz 94 0.447244 4 F px
40 -0.425815 2 C px 53 -0.395292 2 C dxx
Vector 95 Occ=0.000000D+00 E= 6.806903D+00
MO Center= 5.8D-01, -7.2D-01, 7.0D-01, r^2= 7.3D-01
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
68 1.709714 3 O s 80 -0.816389 3 O dyz
54 0.806001 2 C dxy 77 0.806696 3 O dxy
55 -0.780877 2 C dxz 78 -0.781563 3 O dxz
83 -0.773455 3 O dxy 37 0.759886 2 C py
84 0.749349 3 O dxz 38 -0.736194 2 C pz
Vector 96 Occ=0.000000D+00 E= 6.938911D+00
MO Center= 6.5D-01, -8.1D-01, 7.9D-01, r^2= 3.9D-01
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
79 0.871828 3 O dyy 81 -0.871820 3 O dzz
78 -0.723419 3 O dxz 77 -0.700845 3 O dxy
85 -0.617618 3 O dyy 87 0.617617 3 O dzz
84 0.512481 3 O dxz 83 0.496484 3 O dxy
71 -0.329125 3 O pz 70 -0.318868 3 O py
Vector 97 Occ=0.000000D+00 E= 7.149963D+00
MO Center= 6.4D-01, -7.9D-01, 7.7D-01, r^2= 5.3D-01
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
76 -0.879331 3 O dxx 80 -0.878900 3 O dyz
53 0.862993 2 C dxx 57 0.862553 2 C dyz
82 0.778506 3 O dxx 86 0.778126 3 O dyz
69 -0.768495 3 O px 77 0.729333 3 O dxy
54 -0.715749 2 C dxy 78 -0.706581 3 O dxz
Vector 98 Occ=0.000000D+00 E= 7.190820D+00
MO Center= 5.9D-01, -7.3D-01, 7.1D-01, r^2= 6.5D-01
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
68 4.426338 3 O s 39 2.102434 2 C s
53 -1.688223 2 C dxx 80 1.482628 3 O dyz
56 -1.451296 2 C dyy 58 -1.427843 2 C dzz
70 1.261622 3 O py 86 -1.263628 3 O dyz
71 -1.222286 3 O pz 41 1.083047 2 C py
Vector 99 Occ=0.000000D+00 E= 8.688400D+00
MO Center= 1.0D-01, -1.2D-01, 1.2D-01, r^2= 6.9D-01
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
39 8.494369 2 C s 35 5.846809 2 C s
47 -3.087064 2 C dxx 50 -3.090440 2 C dyy
52 -3.088047 2 C dzz 53 -2.777153 2 C dxx
56 -2.764017 2 C dyy 58 -2.764812 2 C dzz
31 -1.745065 2 C s 72 -1.473856 3 O s
Vector 100 Occ=0.000000D+00 E= 8.970697D+00
MO Center= -3.2D-01, 3.9D-01, -3.8D-01, r^2= 1.3D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
107 0.985432 4 F dxz 106 0.954698 4 F dxy
21 0.629734 1 F dyy 23 -0.629735 1 F dzz
113 -0.465132 4 F dxz 112 -0.450624 4 F dxy
20 0.403852 1 F dxz 19 0.391265 1 F dxy
27 -0.297518 1 F dyy 29 0.297518 1 F dzz
Vector 101 Occ=0.000000D+00 E= 9.006809D+00
MO Center= -3.1D-01, 3.9D-01, -3.8D-01, r^2= 1.4D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
21 0.653205 1 F dyy 23 -0.653203 1 F dzz
107 -0.652645 4 F dxz 106 -0.632300 4 F dxy
108 0.520240 4 F dyy 110 -0.520252 4 F dzz
20 -0.321387 1 F dxz 27 -0.319850 1 F dyy
29 0.319848 1 F dzz 113 0.320646 4 F dxz
Vector 102 Occ=0.000000D+00 E= 9.063769D+00
MO Center= -3.1D-01, 3.8D-01, -3.7D-01, r^2= 1.4D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
22 1.375368 1 F dyz 68 1.198465 3 O s
39 0.965441 2 C s 109 0.804988 4 F dyz
53 -0.715349 2 C dxx 28 -0.706037 1 F dyz
56 -0.645126 2 C dyy 57 0.636908 2 C dyz
58 -0.624952 2 C dzz 105 -0.503768 4 F dxx
Vector 103 Occ=0.000000D+00 E= 9.074443D+00
MO Center= -3.1D-01, 3.9D-01, -3.8D-01, r^2= 1.4D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
22 1.293670 1 F dyz 105 0.678864 4 F dxx
28 -0.665457 1 F dyz 109 -0.662042 4 F dyz
53 0.394195 2 C dxx 57 0.393065 2 C dyz
110 -0.360708 4 F dzz 19 -0.342429 1 F dxy
108 -0.339722 4 F dyy 20 0.331772 1 F dxz
Vector 104 Occ=0.000000D+00 E= 9.191067D+00
MO Center= -3.1D-01, 3.8D-01, -3.7D-01, r^2= 1.4D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
20 0.919430 1 F dxz 19 0.890805 1 F dxy
108 0.696249 4 F dyy 110 -0.696233 4 F dzz
26 -0.532845 1 F dxz 25 -0.516256 1 F dxy
114 -0.401506 4 F dyy 116 0.401495 4 F dzz
55 -0.293882 2 C dxz 21 -0.284614 1 F dyy
Vector 105 Occ=0.000000D+00 E= 9.236078D+00
MO Center= -3.1D-01, 3.9D-01, -3.8D-01, r^2= 1.4D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
20 0.956560 1 F dxz 19 0.926722 1 F dxy
107 -0.758880 4 F dxz 106 -0.735211 4 F dxy
26 -0.573835 1 F dxz 25 -0.555935 1 F dxy
108 -0.463969 4 F dyy 110 0.463965 4 F dzz
113 0.447974 4 F dxz 112 0.434001 4 F dxy
Vector 106 Occ=0.000000D+00 E= 9.254721D+00
MO Center= -2.9D-01, 3.7D-01, -3.5D-01, r^2= 1.5D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
19 0.927525 1 F dxy 20 -0.898632 1 F dxz
106 -0.733171 4 F dxy 109 -0.719933 4 F dyz
107 0.710291 4 F dxz 53 0.555972 2 C dxx
57 0.555762 2 C dyz 25 -0.551619 1 F dxy
26 0.534436 1 F dxz 22 0.485616 1 F dyz
Vector 107 Occ=0.000000D+00 E= 9.633890D+00
MO Center= -3.1D-01, 3.9D-01, -3.7D-01, r^2= 1.5D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
54 1.326962 2 C dxy 55 -1.285587 2 C dxz
19 -1.032915 1 F dxy 20 1.000708 1 F dxz
25 0.831918 1 F dxy 26 -0.805977 1 F dxz
57 0.787637 2 C dyz 109 -0.684042 4 F dyz
105 -0.646030 4 F dxx 115 0.569231 4 F dyz
Vector 108 Occ=0.000000D+00 E= 9.702313D+00
MO Center= -3.2D-01, 4.0D-01, -3.9D-01, r^2= 1.5D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
10 1.648694 1 F s 97 -1.648906 4 F s
109 -1.037900 4 F dyz 36 1.021348 2 C px
11 0.994170 1 F px 40 0.976187 2 C px
115 0.933735 4 F dyz 18 -0.833512 1 F dxx
106 0.688254 4 F dxy 107 -0.666791 4 F dxz
Vector 109 Occ=0.000000D+00 E= 9.764466D+00
MO Center= -3.1D-01, 3.9D-01, -3.7D-01, r^2= 1.5D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
39 2.739337 2 C s 10 2.196831 1 F s
97 2.196663 4 F s 53 -1.827198 2 C dxx
56 -1.554842 2 C dyy 58 -1.520064 2 C dzz
35 -1.413033 2 C s 11 1.217650 1 F px
68 1.128429 3 O s 57 1.097628 2 C dyz
Vector 110 Occ=0.000000D+00 E= 1.757076D+01
MO Center= 6.6D-01, -8.2D-01, 8.0D-01, r^2= 5.5D-01
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
64 7.864088 3 O s 68 6.074687 3 O s
76 -3.307295 3 O dxx 79 -3.309615 3 O dyy
81 -3.309839 3 O dzz 82 -2.606292 3 O dxx
85 -2.579630 3 O dyy 87 -2.582350 3 O dzz
60 -1.990180 3 O s 72 -1.376312 3 O s
Vector 111 Occ=0.000000D+00 E= 2.270845D+01
MO Center= -3.2D-01, 4.0D-01, -3.8D-01, r^2= 1.7D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
6 6.026644 1 F s 93 -6.026439 4 F s
10 3.516204 1 F s 97 -3.516073 4 F s
18 -2.369637 1 F dxx 21 -2.369657 1 F dyy
23 -2.369243 1 F dzz 105 2.378616 4 F dxx
108 2.364903 4 F dyy 110 2.364777 4 F dzz
Vector 112 Occ=0.000000D+00 E= 2.282925D+01
MO Center= -3.2D-01, 4.0D-01, -3.9D-01, r^2= 1.7D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
6 6.016013 1 F s 93 6.016218 4 F s
10 3.920204 1 F s 97 3.920324 4 F s
18 -2.371897 1 F dxx 21 -2.377602 1 F dyy
23 -2.377625 1 F dzz 105 -2.371928 4 F dxx
108 -2.377708 4 F dyy 110 -2.377730 4 F dzz
Vector 113 Occ=0.000000D+00 E= 3.502257D+01
MO Center= 7.7D-02, -9.6D-02, 9.3D-02, r^2= 5.0D-01
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
39 10.801600 2 C s 35 4.996196 2 C s
31 -4.521421 2 C s 53 -3.266874 2 C dxx
56 -3.241418 2 C dyy 58 -3.245228 2 C dzz
50 -2.742553 2 C dyy 52 -2.746838 2 C dzz
47 -2.721267 2 C dxx 30 2.541784 2 C s
Vector 114 Occ=0.000000D+00 E= 6.655326D+01
MO Center= 6.6D-01, -8.2D-01, 8.0D-01, r^2= 4.2D-01
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
68 5.906538 3 O s 64 5.363725 3 O s
60 -4.299436 3 O s 59 2.704436 3 O s
76 -2.305927 3 O dxx 79 -2.307716 3 O dyy
81 -2.307835 3 O dzz 82 -2.314009 3 O dxx
85 -2.294529 3 O dyy 87 -2.296405 3 O dzz
Vector 115 Occ=0.000000D+00 E= 8.422517D+01
MO Center= -3.2D-01, 4.0D-01, -3.8D-01, r^2= 1.5D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
6 3.646500 1 F s 93 -3.646418 4 F s
2 -2.931065 1 F s 89 2.931000 4 F s
10 2.913695 1 F s 97 -2.913620 4 F s
1 1.941805 1 F s 88 -1.941763 4 F s
105 1.443774 4 F dxx 18 -1.436531 1 F dxx
Vector 116 Occ=0.000000D+00 E= 8.479737D+01
MO Center= -3.2D-01, 4.0D-01, -3.9D-01, r^2= 1.5D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
6 3.694085 1 F s 93 3.694164 4 F s
10 3.367966 1 F s 97 3.368028 4 F s
2 -2.959887 1 F s 89 -2.959950 4 F s
1 1.948023 1 F s 88 1.948066 4 F s
24 -1.483368 1 F dxx 111 -1.476917 4 F dxx
Final MO vectors
----------------
global array: alpha evecs[1:116,1:116], handle: -995
1 2 3 4 5 6
----------- ----------- ----------- ----------- ----------- -----------
1 0.54733 0.03850 0.00000 -0.00003 -0.08018 -0.08919
2 0.46594 0.03271 -0.00001 -0.00011 -0.12311 -0.13703
3 0.00111 0.00007 -0.00000 0.00017 0.03783 0.02899
4 -0.00008 0.00000 -0.00002 -0.00000 -0.00071 -0.00495
5 0.00008 -0.00000 0.00002 0.00000 0.00068 0.00480
6 0.02055 0.00147 0.00035 0.00050 0.37238 0.41915
7 -0.00070 0.00001 0.00005 -0.00043 0.06281 0.04946
8 0.00004 -0.00001 0.00006 -0.00001 -0.00153 -0.00775
9 -0.00004 0.00001 -0.00006 0.00001 0.00148 0.00751
10 0.02139 0.00322 -0.00122 0.00099 0.25815 0.26894
11 0.00115 0.00078 -0.00061 0.00032 0.04676 0.02723
12 -0.00002 0.00009 -0.00025 -0.00002 -0.00050 -0.00522
13 0.00002 -0.00009 0.00024 0.00002 0.00049 0.00506
14 -0.00678 0.00038 -0.00027 -0.00546 -0.00554 0.00659
15 -0.00081 0.00044 0.00016 -0.00214 -0.00724 -0.00277
16 -0.00004 0.00012 -0.00021 0.00034 0.00112 -0.00152
17 0.00004 -0.00012 0.00020 -0.00033 -0.00109 0.00147
18 -0.00483 -0.00039 0.00002 0.00006 0.00859 0.00901
19 -0.00003 0.00002 -0.00003 -0.00000 -0.00022 -0.00091
20 0.00003 -0.00002 0.00003 0.00000 0.00021 0.00088
21 -0.00499 -0.00041 -0.00002 -0.00012 0.00491 0.00604
22 0.00004 -0.00002 -0.00003 -0.00001 0.00004 0.00028
23 -0.00499 -0.00041 -0.00002 -0.00012 0.00492 0.00605
24 -0.00930 -0.00076 -0.00005 -0.00107 0.02509 0.02540
25 0.00005 -0.00007 0.00011 0.00011 -0.00150 -0.00337
26 -0.00005 0.00007 -0.00010 -0.00011 0.00145 0.00327
27 -0.00913 -0.00078 0.00020 0.00029 0.00737 0.01026
28 -0.00013 0.00008 0.00014 0.00008 0.00016 -0.00027
29 -0.00913 -0.00078 0.00020 0.00030 0.00737 0.01025
30 0.00001 0.00001 0.00005 0.56531 -0.05646 0.00001
31 -0.00002 -0.00003 -0.00020 0.45359 -0.08090 0.00001
32 -0.00007 0.00005 0.00014 -0.00059 -0.01720 -0.06586
33 -0.00002 0.00003 -0.00018 0.00074 0.02139 -0.02731
34 0.00002 -0.00003 0.00017 -0.00071 -0.02072 0.02645
35 -0.00154 -0.00177 0.00070 0.02624 0.16511 -0.00010
36 -0.00024 -0.00015 0.00006 0.00194 -0.02510 -0.08046
37 0.00019 0.00028 -0.00008 -0.00241 0.03121 -0.03336
38 -0.00019 -0.00027 0.00008 0.00233 -0.03024 0.03232
39 -0.00042 -0.00048 -0.00073 0.07503 0.09655 0.00012
40 0.00062 0.00035 -0.00187 0.00227 0.00369 0.00565
41 -0.00047 -0.00069 0.00233 -0.00283 -0.00455 0.00239
42 0.00046 0.00067 -0.00225 0.00274 0.00441 -0.00232
43 0.00152 0.00175 0.00326 0.00186 0.00928 0.00001
44 -0.00109 0.00036 0.00072 0.00054 0.00014 -0.00114
45 0.00003 0.00070 -0.00089 -0.00068 -0.00018 -0.00046
46 -0.00003 -0.00068 0.00086 0.00066 0.00018 0.00045
47 0.00053 0.00011 -0.00022 -0.01126 0.01324 0.01416
48 -0.00007 0.00034 0.00022 -0.00090 0.00228 -0.01175
49 0.00007 -0.00033 -0.00021 0.00087 -0.00221 0.01138
50 -0.00009 0.00015 -0.00034 -0.01146 0.00180 -0.00731
51 -0.00004 -0.00054 0.00012 -0.00189 -0.01982 0.01415
52 -0.00010 0.00013 -0.00034 -0.01152 0.00117 -0.00686
53 -0.00061 -0.00156 -0.00041 -0.02065 -0.02843 0.01641
54 -0.00010 0.00059 -0.00040 -0.00179 0.00412 -0.01364
55 0.00010 -0.00057 0.00039 0.00174 -0.00399 0.01321
56 -0.00091 -0.00060 -0.00038 -0.02027 -0.02735 -0.00854
57 0.00155 0.00093 -0.00061 -0.00219 0.00915 0.01650
58 -0.00086 -0.00057 -0.00040 -0.02034 -0.02706 -0.00802
59 0.00000 0.00000 0.55262 -0.00014 -0.01715 0.00001
60 -0.00001 -0.00002 0.46353 -0.00022 -0.02632 0.00001
61 0.00002 0.00002 -0.00083 -0.00024 -0.00854 -0.00566
62 -0.00002 -0.00003 0.00103 0.00030 0.01062 -0.00235
63 0.00002 0.00003 -0.00100 -0.00029 -0.01029 0.00228
64 0.00020 0.00023 0.02247 0.00036 0.07833 -0.00003
65 -0.00012 -0.00010 0.00049 0.00101 -0.01403 -0.00894
66 0.00012 0.00015 -0.00061 -0.00126 0.01746 -0.00371
67 -0.00012 -0.00015 0.00059 0.00122 -0.01691 0.00359
68 0.00102 0.00117 0.03234 -0.00679 0.05860 0.00007
69 -0.00083 -0.00002 -0.00091 0.00201 -0.01199 -0.01305
70 0.00026 0.00069 0.00113 -0.00250 0.01490 -0.00538
71 -0.00026 -0.00067 -0.00109 0.00242 -0.01444 0.00522
72 -0.00006 -0.00007 -0.00856 -0.01459 -0.02014 -0.00001
73 0.00015 -0.00009 0.00028 0.00218 0.00414 0.00011
74 0.00003 -0.00007 -0.00035 -0.00271 -0.00513 0.00003
75 -0.00003 0.00007 0.00034 0.00262 0.00497 -0.00003
76 -0.00002 -0.00001 -0.00682 -0.00009 0.00073 0.00057
77 0.00001 -0.00001 -0.00019 -0.00022 -0.00155 -0.00047
78 -0.00001 0.00001 0.00019 0.00022 0.00150 0.00046
79 -0.00001 -0.00002 -0.00676 -0.00003 0.00099 -0.00029
80 -0.00001 0.00000 -0.00021 -0.00024 -0.00204 0.00057
81 -0.00001 -0.00002 -0.00677 -0.00003 0.00093 -0.00028
82 0.00019 0.00001 -0.01220 -0.00013 0.00274 0.00376
83 -0.00014 0.00001 0.00007 0.00197 -0.00336 -0.00312
84 0.00014 -0.00001 -0.00006 -0.00191 0.00325 0.00302
85 0.00003 0.00015 -0.01222 -0.00060 0.00364 -0.00194
86 0.00001 -0.00020 0.00007 0.00229 -0.00370 0.00376
87 0.00003 0.00014 -0.01222 -0.00053 0.00352 -0.00182
88 -0.03847 0.54733 0.00000 -0.00003 -0.08017 0.08920
89 -0.03282 0.46593 -0.00001 -0.00011 -0.12309 0.13704
90 0.00003 -0.00046 0.00002 -0.00009 -0.01805 0.00851
91 0.00006 -0.00073 -0.00001 -0.00011 -0.02388 0.02051
92 -0.00006 0.00071 0.00001 0.00011 0.02313 -0.01987
93 -0.00142 0.02056 0.00035 0.00050 0.37232 -0.41921
94 -0.00003 0.00030 -0.00009 0.00023 -0.02954 0.01536
95 -0.00007 0.00045 -0.00000 0.00026 -0.03983 0.03465
96 0.00007 -0.00044 0.00000 -0.00025 0.03859 -0.03356
97 0.00019 0.02163 -0.00122 0.00099 0.25812 -0.26893
98 -0.00042 -0.00062 0.00061 -0.00014 -0.02274 0.00727
99 -0.00033 -0.00078 0.00026 -0.00021 -0.02933 0.01953
100 0.00032 0.00076 -0.00025 0.00020 0.02841 -0.01892
101 0.00132 -0.00666 -0.00027 -0.00547 -0.00565 -0.00666
102 -0.00042 0.00039 0.00017 0.00066 0.00230 -0.00319
103 -0.00028 0.00045 -0.00020 0.00150 0.00509 -0.00096
104 0.00027 -0.00044 0.00020 -0.00145 -0.00494 0.00093
105 0.00032 -0.00499 -0.00002 -0.00007 0.00569 -0.00613
106 -0.00000 0.00010 0.00000 0.00011 0.00219 -0.00148
107 0.00000 -0.00009 -0.00000 -0.00010 -0.00212 0.00144
108 0.00028 -0.00492 -0.00000 -0.00005 0.00641 -0.00753
109 0.00000 -0.00011 -0.00007 -0.00015 -0.00287 0.00260
110 0.00028 -0.00493 -0.00001 -0.00006 0.00632 -0.00744
111 0.00044 -0.00912 0.00015 -0.00001 0.01085 -0.01212
112 0.00002 -0.00012 -0.00006 -0.00077 0.01032 -0.00764
113 -0.00002 0.00012 0.00006 0.00074 -0.01000 0.00740
114 0.00056 -0.00925 0.00010 -0.00025 0.01472 -0.01711
115 -0.00002 0.00007 0.00034 0.00114 -0.01410 0.01358
116 0.00056 -0.00925 0.00011 -0.00021 0.01427 -0.01668
7 8 9 10 11 12
----------- ----------- ----------- ----------- ----------- -----------
1 0.02278 0.03765 0.02517 0.00000 0.00172 -0.00021
2 0.03516 0.05819 0.03875 0.00000 0.00244 -0.00045
3 0.00025 0.16321 0.16547 0.00001 0.02628 0.04276
4 -0.00629 0.00838 -0.05005 0.11667 0.09717 -0.12467
5 0.00610 -0.00812 0.04848 0.12043 -0.09413 0.12071
6 -0.10792 -0.18220 -0.12069 0.00000 -0.00838 0.00318
7 -0.00117 0.23669 0.23982 0.00001 0.03704 0.06354
8 -0.00888 0.01215 -0.07236 0.16823 0.13977 -0.17918
9 0.00861 -0.01177 0.07009 0.17366 -0.13540 0.17349
10 -0.07730 -0.18654 -0.14210 -0.00001 -0.00881 -0.00234
11 -0.00046 0.16429 0.17130 0.00000 0.02590 0.05341
12 -0.00762 0.00973 -0.05676 0.13945 0.11295 -0.14821
13 0.00738 -0.00942 0.05498 0.14395 -0.10941 0.14350
14 -0.01465 -0.02593 -0.00038 0.00002 0.02855 -0.03970
15 -0.00505 0.00345 0.01900 0.00001 0.01805 -0.01522
16 0.00022 0.00226 -0.00365 0.00045 0.01086 -0.02021
17 -0.00022 -0.00219 0.00353 0.00046 -0.01053 0.01956
18 -0.00191 0.00076 0.00112 0.00000 0.00037 0.00055
19 -0.00062 0.00024 -0.00240 0.00317 0.00276 -0.00231
20 0.00060 -0.00023 0.00232 0.00327 -0.00268 0.00224
21 -0.00169 -0.00575 -0.00451 -0.00017 -0.00073 -0.00046
22 -0.00023 -0.00009 -0.00021 -0.00001 0.00018 0.00002
23 -0.00170 -0.00575 -0.00451 0.00017 -0.00072 -0.00046
24 -0.00579 0.01165 0.01124 0.00000 0.00057 0.00587
25 -0.00278 0.00119 -0.01063 0.02316 0.01348 -0.01068
26 0.00269 -0.00115 0.01029 0.02390 -0.01306 0.01034
27 -0.00216 -0.00981 -0.00712 -0.00138 -0.00152 -0.00125
28 -0.00028 0.00105 -0.00280 -0.00009 0.00072 -0.00102
29 -0.00217 -0.00978 -0.00721 0.00138 -0.00149 -0.00128
30 -0.05281 -0.06871 -0.00002 0.00000 0.03332 0.02034
31 -0.07736 -0.10493 -0.00003 0.00000 0.05015 0.03066
32 0.06393 -0.04779 -0.14613 -0.00000 -0.05496 -0.04793
33 -0.07952 0.05949 -0.06060 0.10825 0.06835 0.05961
34 0.07704 -0.05763 0.05870 0.11175 -0.06622 -0.05775
35 0.18394 0.32107 0.00011 0.00001 -0.13997 -0.13408
36 0.07093 -0.06821 -0.20735 -0.00000 -0.07775 -0.06515
37 -0.08825 0.08491 -0.08599 0.16006 0.09673 0.08100
38 0.08550 -0.08225 0.08329 0.16523 -0.09371 -0.07847
39 0.09870 0.14145 0.00021 0.00001 -0.07257 -0.05182
40 -0.00166 -0.00528 -0.02511 0.00002 0.01585 -0.05846
41 0.00206 0.00648 -0.01033 0.07938 -0.01971 0.07248
42 -0.00200 -0.00628 0.01001 0.08189 0.01911 -0.07021
43 0.00276 -0.00371 0.00001 0.00000 0.00291 -0.01649
44 0.00130 0.00327 0.00608 0.00000 -0.00174 0.00475
45 -0.00162 -0.00406 0.00251 0.01749 0.00217 -0.00593
46 0.00157 0.00394 -0.00243 0.01805 -0.00210 0.00574
47 -0.00088 0.01074 0.00920 0.00000 -0.00698 0.01012
48 -0.01903 0.00298 -0.00763 -0.00186 -0.00598 0.02974
49 0.01843 -0.00288 0.00739 -0.00191 0.00579 -0.02880
50 0.00516 0.00252 -0.00475 0.00230 -0.00129 -0.00790
51 -0.01910 -0.01207 0.00919 0.00015 0.00182 0.01223
52 0.00456 0.00213 -0.00445 -0.00230 -0.00124 -0.00752
53 -0.01708 0.00198 0.00783 0.00001 -0.00013 -0.00154
54 -0.01135 -0.00371 -0.00652 -0.00962 -0.04392 0.07400
55 0.01100 0.00359 0.00631 -0.00994 0.04255 -0.07167
56 -0.01193 0.00432 -0.00402 0.01200 0.01886 -0.03690
57 -0.00816 -0.00118 0.00782 0.00075 -0.03385 0.05009
58 -0.01219 0.00428 -0.00377 -0.01198 0.01779 -0.03532
59 -0.10699 0.02690 0.00000 0.00000 -0.05442 -0.02513
60 -0.16439 0.04189 0.00001 0.00000 -0.08443 -0.03980
61 -0.04179 -0.01171 -0.06162 -0.00000 0.08680 0.08762
62 0.05200 0.01457 -0.02553 0.06350 -0.10796 -0.10890
63 -0.05038 -0.01411 0.02473 0.06554 0.10459 0.10550
64 0.48331 -0.12585 -0.00001 0.00000 0.26721 0.12362
65 -0.06086 -0.01682 -0.08986 -0.00001 0.12015 0.11930
66 0.07574 0.02092 -0.03724 0.09398 -0.14944 -0.14828
67 -0.07338 -0.02026 0.03607 0.09700 0.14477 0.14364
68 0.27693 -0.11994 -0.00008 -0.00002 0.21662 0.28114
69 -0.02241 -0.01075 -0.07072 0.00000 0.08862 0.05777
70 0.02792 0.01336 -0.02934 0.07481 -0.11016 -0.07172
71 -0.02705 -0.01294 0.02842 0.07722 0.10672 0.06947
72 -0.00413 -0.02528 0.00002 0.00000 0.00904 0.12425
73 0.00143 0.00158 -0.00458 -0.00000 0.01708 -0.00683
74 -0.00178 -0.00197 -0.00187 -0.01189 -0.02123 0.00860
75 0.00172 0.00191 0.00181 -0.01227 0.02057 -0.00834
76 0.00528 -0.00167 0.00347 0.00000 0.00455 0.00220
77 -0.00910 -0.00022 -0.00288 -0.00293 0.00783 0.00788
78 0.00882 0.00021 0.00279 -0.00303 -0.00759 -0.00763
79 0.00767 -0.00183 -0.00179 0.00365 0.00321 0.00013
80 -0.01019 -0.00070 0.00346 0.00023 0.01025 0.00879
81 0.00734 -0.00185 -0.00168 -0.00365 0.00354 0.00041
82 0.01155 -0.00305 0.01076 0.00000 0.01254 0.00575
83 -0.01303 -0.00161 -0.00893 -0.01224 0.00773 0.00828
84 0.01263 0.00156 0.00865 -0.01263 -0.00748 -0.00801
85 0.01523 -0.00206 -0.00554 0.01522 0.01185 0.00400
86 -0.01405 -0.00061 0.01077 0.00096 0.01140 0.01014
87 0.01478 -0.00207 -0.00520 -0.01522 0.01221 0.00432
88 0.02279 0.03765 -0.02516 -0.00000 0.00170 -0.00020
89 0.03518 0.05819 -0.03873 -0.00000 0.00242 -0.00044
90 0.00746 -0.09177 0.02240 0.00001 -0.13035 0.12920
91 -0.00330 -0.09736 0.12790 0.11657 0.03227 -0.08886
92 0.00320 0.09433 -0.12393 0.12031 -0.03126 0.08617
93 -0.10796 -0.18218 0.12064 0.00002 -0.00829 0.00311
94 0.01129 -0.13307 0.03266 0.00001 -0.18711 0.18465
95 -0.00371 -0.14119 0.18528 0.16811 0.04689 -0.12900
96 0.00360 0.13680 -0.17952 0.17349 -0.04542 0.12510
97 -0.07733 -0.18657 0.14199 -0.00003 -0.00884 -0.00223
98 0.00940 -0.09397 0.01728 0.00001 -0.14918 0.15229
99 -0.00353 -0.09738 0.13490 0.13930 0.04044 -0.10731
100 0.00342 0.09436 -0.13072 0.14375 -0.03917 0.10406
101 -0.01461 -0.02574 0.00014 -0.00003 0.02847 -0.03930
102 0.00225 -0.00454 0.00514 0.00000 -0.02215 0.03196
103 0.00325 -0.00107 0.01373 0.00041 -0.00577 -0.00073
104 -0.00314 0.00104 -0.01330 0.00041 0.00559 0.00072
105 -0.00204 -0.00395 0.00446 0.00000 0.00115 -0.00161
106 -0.00051 0.00414 -0.00224 -0.00138 0.00212 -0.00053
107 0.00050 -0.00401 0.00217 -0.00142 -0.00205 0.00051
108 -0.00163 -0.00332 0.00162 -0.00206 -0.00113 0.00065
109 -0.00035 -0.00480 0.00580 -0.00013 0.00096 -0.00213
110 -0.00164 -0.00347 0.00181 0.00206 -0.00110 0.00059
111 -0.00464 -0.00412 0.00793 0.00001 0.00687 -0.00555
112 -0.00373 0.01426 -0.00525 -0.00989 0.00826 -0.00126
113 0.00361 -0.01381 0.00509 -0.01020 -0.00800 0.00121
114 -0.00275 -0.00166 -0.00276 -0.01507 -0.00475 0.00462
115 0.00087 -0.01470 0.02193 -0.00096 0.00703 -0.01242
116 -0.00273 -0.00213 -0.00206 0.01508 -0.00453 0.00423
13 14 15 16 17 18
----------- ----------- ----------- ----------- ----------- -----------
1 -0.00000 -0.00135 -0.00000 -0.00412 0.00000 0.02429
2 -0.00000 -0.00228 -0.00000 -0.00675 0.00000 0.03800
3 0.00002 0.11029 0.00001 0.06002 -0.00000 -0.05175
4 0.15982 0.14503 -0.08905 -0.06710 -0.07329 0.00094
5 0.16500 -0.14053 -0.09189 0.06503 -0.07564 -0.00089
6 0.00000 0.01104 0.00000 0.02563 -0.00002 -0.15722
7 0.00002 0.16116 0.00001 0.08825 -0.00001 -0.08100
8 0.23045 0.20830 -0.12826 -0.09669 -0.10371 0.00188
9 0.23793 -0.20184 -0.13235 0.09370 -0.10704 -0.00180
10 0.00000 -0.02368 0.00001 -0.00917 0.00000 -0.11931
11 0.00002 0.12125 0.00001 0.05835 -0.00001 -0.08074
12 0.19663 0.18205 -0.11152 -0.08830 -0.12096 0.00093
13 0.20300 -0.17640 -0.11507 0.08556 -0.12484 -0.00087
14 -0.00003 -0.03003 0.00001 -0.02696 -0.00011 -0.64235
15 -0.00001 -0.00235 0.00000 -0.00030 -0.00004 -0.21155
16 0.02319 0.01694 -0.02264 -0.00938 -0.07775 0.00610
17 0.02395 -0.01642 -0.02335 0.00910 -0.08025 -0.00592
18 0.00000 0.00159 0.00000 0.00115 -0.00000 -0.00237
19 0.00215 0.00128 -0.00050 0.00007 0.00344 0.00014
20 0.00222 -0.00124 -0.00051 -0.00007 0.00355 -0.00013
21 -0.00030 -0.00085 -0.00021 -0.00033 -0.00013 -0.00263
22 -0.00002 0.00075 -0.00001 0.00050 -0.00001 0.00064
23 0.00030 -0.00083 0.00020 -0.00032 0.00013 -0.00261
24 0.00000 0.01168 -0.00000 0.00294 -0.00000 -0.01736
25 0.02005 0.01545 -0.00500 -0.00627 0.01823 0.00157
26 0.02070 -0.01497 -0.00515 0.00608 0.01882 -0.00153
27 -0.00186 -0.00305 -0.00061 0.00036 -0.00105 -0.01436
28 -0.00012 0.00354 -0.00004 -0.00063 -0.00007 0.00526
29 0.00186 -0.00294 0.00061 0.00034 0.00105 -0.01420
30 0.00000 -0.00002 0.00000 -0.00000 -0.00000 -0.02934
31 0.00001 -0.00002 0.00000 -0.00000 -0.00001 -0.04983
32 -0.00001 -0.01138 0.00000 0.03152 0.00000 -0.02381
33 -0.00005 -0.00476 0.07149 0.01304 0.20114 0.02957
34 -0.00008 0.00461 0.07378 -0.01266 0.20761 -0.02869
35 -0.00004 0.00016 0.00001 0.00017 -0.00005 -0.17123
36 -0.00001 -0.00661 0.00000 0.04201 0.00000 -0.03009
37 -0.00009 -0.00278 0.10188 0.01742 0.31353 0.03734
38 -0.00013 0.00269 0.10516 -0.01691 0.32360 -0.03626
39 -0.00002 -0.00035 -0.00003 -0.00074 0.00022 1.84996
40 -0.00004 -0.02162 0.00001 -0.01525 -0.00002 -0.04133
41 -0.00003 -0.00904 0.05669 -0.00635 0.44123 0.05270
42 -0.00006 0.00876 0.05853 0.00613 0.45533 -0.05112
43 -0.00000 -0.00006 0.00000 -0.00014 0.00019 1.98907
44 0.00000 0.01504 0.00000 0.00756 0.00001 0.01753
45 -0.00000 0.00625 0.00123 0.00316 0.08134 -0.02094
46 -0.00000 -0.00606 0.00127 -0.00306 0.08395 0.02033
47 0.00000 0.01792 0.00000 0.02354 -0.00000 -0.01324
48 -0.01972 -0.01489 0.01650 -0.01953 -0.00730 0.00264
49 -0.02037 0.01443 0.01704 0.01891 -0.00753 -0.00256
50 -0.00818 -0.00924 -0.02055 -0.01214 0.00908 0.00046
51 -0.00051 0.01792 -0.00130 0.02353 0.00058 0.03260
52 0.00817 -0.00867 0.02055 -0.01140 -0.00908 0.00150
53 -0.00000 0.04543 0.00001 0.05251 -0.00004 -0.19283
54 -0.03544 -0.03771 0.02729 -0.04343 -0.02101 -0.00261
55 -0.03661 0.03654 0.02816 0.04207 -0.02170 0.00255
56 -0.01469 -0.02334 -0.03393 -0.02692 0.02610 -0.15365
57 -0.00090 0.04529 -0.00215 0.05233 0.00168 0.07666
58 0.01465 -0.02190 0.03395 -0.02527 -0.02617 -0.15124
59 -0.00001 0.00002 -0.00000 0.00002 0.00000 0.02439
60 -0.00001 0.00003 -0.00000 0.00003 0.00001 0.03833
61 0.00002 0.05138 0.00003 0.23952 0.00000 0.01415
62 -0.00010 0.02140 0.16518 0.09933 -0.12684 -0.01771
63 -0.00005 -0.02072 0.17048 -0.09628 -0.13092 0.01719
64 0.00002 -0.00011 0.00002 -0.00014 -0.00003 -0.16477
65 0.00003 0.07092 0.00004 0.34893 0.00001 0.02433
66 -0.00014 0.02952 0.24348 0.14470 -0.18506 -0.03038
67 -0.00008 -0.02859 0.25130 -0.14025 -0.19102 0.02949
68 0.00009 -0.00017 -0.00001 -0.00002 0.00004 -0.09938
69 0.00001 0.04671 0.00005 0.30066 -0.00001 0.02003
70 -0.00008 0.01945 0.20016 0.12473 -0.23139 -0.02543
71 -0.00007 -0.01883 0.20660 -0.12087 -0.23886 0.02471
72 0.00003 0.00004 -0.00003 0.00034 -0.00004 -1.02209
73 0.00000 0.01378 0.00002 0.04872 -0.00002 0.15294
74 -0.00002 0.00572 0.02486 0.02028 -0.18020 -0.18940
75 -0.00002 -0.00554 0.02567 -0.01963 -0.18595 0.18343
76 0.00000 -0.00215 -0.00000 -0.00514 -0.00000 -0.00257
77 -0.00068 0.00178 -0.00459 0.00426 -0.00321 0.00159
78 -0.00070 -0.00172 -0.00474 -0.00412 -0.00331 -0.00154
79 -0.00029 0.00111 0.00572 0.00265 0.00398 -0.00227
80 -0.00002 -0.00215 0.00036 -0.00513 0.00025 0.00328
81 0.00029 0.00104 -0.00571 0.00249 -0.00398 -0.00216
82 -0.00000 0.00129 0.00000 -0.01902 -0.00001 -0.02016
83 0.00060 -0.00108 -0.01739 0.01581 -0.00841 0.00464
84 0.00062 0.00104 -0.01796 -0.01533 -0.00868 -0.00449
85 0.00024 -0.00069 0.02164 0.00978 0.01047 -0.01998
86 0.00002 0.00128 0.00137 -0.01907 0.00066 0.00821
87 -0.00024 -0.00064 -0.02163 0.00919 -0.01048 -0.01972
88 0.00000 0.00137 0.00000 0.00412 0.00000 0.02430
89 0.00000 0.00231 0.00000 0.00676 0.00001 0.03799
90 0.00004 0.22980 -0.00001 -0.05093 0.00000 0.02466
91 -0.15990 -0.00381 -0.08914 0.07092 -0.07328 0.03265
92 -0.16499 0.00370 -0.09202 -0.06869 -0.07565 -0.03162
93 -0.00001 -0.01116 -0.00001 -0.02561 -0.00002 -0.15738
94 0.00006 0.33143 -0.00002 -0.07250 0.00000 0.03812
95 -0.23057 -0.00375 -0.12839 0.10329 -0.10369 0.05128
96 -0.23792 0.00365 -0.13254 -0.10004 -0.10704 -0.04965
97 0.00002 0.02355 -0.00001 0.00900 -0.00004 -0.11834
98 0.00005 0.27992 -0.00001 -0.07736 0.00001 0.03905
99 -0.19672 -0.01547 -0.11162 0.08053 -0.12093 0.05082
100 -0.20298 0.01501 -0.11524 -0.07799 -0.12484 -0.04925
101 0.00002 0.03042 0.00003 0.02731 -0.00006 -0.64722
102 0.00001 0.01923 -0.00001 -0.01146 0.00001 0.09998
103 -0.02314 -0.01003 -0.02261 0.00440 -0.07780 0.13571
104 -0.02387 0.00971 -0.02333 -0.00426 -0.08032 -0.13142
105 -0.00000 -0.00025 -0.00000 0.00010 -0.00000 -0.00272
106 0.00071 -0.00238 0.00050 -0.00111 -0.00157 0.00042
107 0.00073 0.00231 0.00051 0.00108 -0.00162 -0.00041
108 0.00149 0.00016 0.00021 -0.00031 -0.00221 -0.00246
109 0.00009 0.00059 0.00001 0.00075 -0.00014 0.00029
110 -0.00149 0.00018 -0.00021 -0.00029 0.00221 -0.00245
111 -0.00001 -0.00864 -0.00000 0.00256 -0.00000 -0.01616
112 0.00776 -0.01795 0.00322 0.00173 -0.00786 0.00052
113 0.00801 0.01739 0.00332 -0.00168 -0.00811 -0.00050
114 0.01342 0.00147 0.00281 -0.00317 -0.01186 -0.01513
115 0.00085 -0.00051 0.00018 0.00612 -0.00075 0.00657
116 -0.01342 0.00145 -0.00281 -0.00298 0.01186 -0.01492
19 20 21 22 23 24
----------- ----------- ----------- ----------- ----------- -----------
1 0.01046 -0.01200 0.00001 0.02319 -0.01958 0.00861
2 0.01562 -0.01688 0.00001 0.04115 -0.03571 0.01492
3 -0.00405 -0.02279 0.00004 -0.14092 0.03527 -0.04960
4 -0.02274 -0.01538 -0.02023 0.01090 -0.00680 -0.02246
5 0.02200 0.01484 -0.02096 -0.01056 0.00658 0.02175
6 -0.07158 0.09825 -0.00009 -0.06273 0.03916 -0.03552
7 -0.00520 -0.03362 0.00005 -0.20280 0.06026 -0.07654
8 -0.03546 -0.02514 -0.03576 0.01858 -0.00884 -0.03105
9 0.03431 0.02425 -0.03703 -0.01800 0.00856 0.03008
10 -0.05685 -0.01047 0.00003 -0.68542 0.74482 -0.14305
11 -0.05034 0.02661 -0.00001 -0.35030 0.16709 -0.06359
12 -0.01305 -0.01374 -0.00451 0.00793 -0.02902 -0.04284
13 0.01262 0.01329 -0.00471 -0.00767 0.02811 0.04146
14 -0.71843 0.96951 -0.00098 0.37685 0.78325 0.19362
15 -0.16313 0.15380 -0.00014 -0.12985 0.85819 -0.14726
16 -0.12540 -0.10863 -0.10200 -0.01431 -0.13943 0.11765
17 0.12139 0.10496 -0.10573 0.01383 0.13507 -0.11387
18 -0.00111 0.00219 -0.00000 0.00449 -0.00497 0.00181
19 -0.00068 -0.00008 -0.00082 0.00089 0.00241 -0.00090
20 0.00066 0.00007 -0.00085 -0.00087 -0.00234 0.00087
21 -0.00203 0.00312 0.00008 -0.00019 -0.00033 -0.00053
22 0.00037 -0.00029 0.00001 0.00046 -0.00047 -0.00020
23 -0.00202 0.00311 -0.00009 -0.00017 -0.00034 -0.00054
24 -0.01233 0.02686 -0.00003 0.04654 -0.04853 0.01500
25 0.00344 -0.00091 -0.00719 0.00540 0.01299 -0.00694
26 -0.00335 0.00086 -0.00742 -0.00523 -0.01259 0.00672
27 -0.01059 0.02227 0.00041 0.03946 -0.04433 0.00485
28 0.00068 0.00017 0.00003 0.01007 0.00280 -0.00031
29 -0.01057 0.02228 -0.00046 0.03978 -0.04424 0.00484
30 -0.00645 -0.00010 0.00001 -0.07244 -0.00019 -0.04648
31 -0.00951 -0.00013 0.00001 -0.12019 -0.00034 -0.08206
32 -0.01546 0.01272 -0.00001 -0.06740 0.16192 -0.00794
33 0.01889 0.00569 -0.04005 0.08394 0.06722 0.00880
34 -0.01836 -0.00563 -0.04129 -0.08132 -0.06514 -0.00853
35 0.13890 0.00394 -0.00013 0.92604 -0.00623 -0.66029
36 -0.03841 0.00774 0.00001 -0.10028 0.23693 -0.03535
37 0.04759 0.00432 -0.05864 0.12494 0.09833 0.04237
38 -0.04618 -0.00435 -0.06045 -0.12105 -0.09531 -0.04105
39 -0.69830 -0.01955 0.00062 -0.99096 0.04010 5.32741
40 -0.43373 0.40052 -0.00033 -0.43594 1.48028 0.46332
41 0.52879 0.17996 -0.07704 0.54253 0.61102 -0.58563
42 -0.51240 -0.17457 -0.07825 -0.52563 -0.59189 0.56740
43 -0.73315 -0.01647 0.00063 -2.09995 0.00386 -0.64450
44 -0.98811 1.50854 -0.00154 0.16049 0.15113 -0.26000
45 1.18233 0.65709 0.97185 -0.20048 0.06203 0.32420
46 -1.14424 -0.63385 1.00656 0.19425 -0.05963 -0.31407
47 -0.00111 -0.00163 0.00000 -0.01200 0.01572 -0.01138
48 0.00033 0.00135 -0.00044 -0.00081 -0.01309 0.00886
49 -0.00032 -0.00131 -0.00045 0.00079 0.01268 -0.00858
50 0.00138 0.00088 0.00054 0.01086 -0.00821 -0.00876
51 0.00591 -0.00154 0.00003 0.04587 0.01584 0.01979
52 0.00157 0.00083 -0.00054 0.01232 -0.00771 -0.00813
53 0.09286 -0.05269 -0.00000 0.26044 -0.10273 -0.55207
54 0.09641 0.04772 -0.00425 0.02431 0.08133 -0.05758
55 -0.09342 -0.04624 -0.00414 -0.02355 -0.07878 0.05578
56 0.04992 0.03028 0.00512 0.29968 0.04683 -0.51718
57 0.07663 -0.05389 0.00034 0.12122 -0.09902 -0.02188
58 0.05233 0.02856 -0.00530 0.30351 0.04369 -0.51786
59 -0.01535 -0.00031 0.00001 0.01460 0.00004 0.01728
60 -0.02261 -0.00045 0.00001 0.02534 0.00007 0.03420
61 0.02063 -0.04718 0.00005 0.04336 0.00337 -0.00222
62 -0.02413 -0.02020 -0.02232 -0.05396 0.00143 0.00279
63 0.02334 0.01950 -0.02312 0.05227 -0.00134 -0.00270
64 0.11917 0.00238 -0.00008 -0.05612 0.00019 0.10296
65 0.02685 -0.07219 0.00008 0.06215 -0.00105 0.00328
66 -0.03107 -0.03078 -0.04166 -0.07736 -0.00044 -0.00403
67 0.03004 0.02969 -0.04313 0.07495 0.00048 0.00390
68 0.28942 0.00563 -0.00015 -0.19671 -0.00374 -1.39682
69 -0.07185 -0.04419 0.00010 0.08136 0.05199 0.02846
70 0.09089 -0.01593 0.00303 -0.10117 0.02092 -0.03541
71 -0.08807 0.01541 0.00323 0.09800 -0.02010 0.03429
72 2.37396 0.04879 -0.00188 2.31649 -0.01619 -1.32815
73 -0.22640 -0.36069 0.00078 -0.61181 -1.00467 1.15883
74 0.29150 -0.14097 -0.16643 0.76072 -0.42586 -1.43569
75 -0.28255 0.13620 -0.17173 -0.73695 0.41192 1.39093
76 0.00288 0.00101 -0.00000 0.00051 -0.00561 0.00322
77 0.00224 -0.00074 0.00143 0.00272 0.00463 -0.00422
78 -0.00217 0.00072 0.00148 -0.00263 -0.00449 0.00408
79 0.00226 -0.00045 -0.00179 0.00021 0.00290 0.00454
80 0.00232 0.00099 -0.00012 0.00388 -0.00563 -0.00414
81 0.00233 -0.00041 0.00178 0.00034 0.00272 0.00440
82 0.02640 -0.00306 -0.00002 0.01424 -0.03039 0.11885
83 -0.01366 0.00271 0.00435 0.00486 0.02529 -0.02342
84 0.01324 -0.00262 0.00448 -0.00471 -0.02450 0.02269
85 0.03174 0.00246 -0.00545 0.02059 0.01598 0.12260
86 -0.01136 -0.00381 -0.00033 0.02115 -0.03056 -0.03054
87 0.03138 0.00236 0.00539 0.02126 0.01501 0.12164
88 0.01001 0.01237 -0.00003 0.02321 0.01964 0.00846
89 0.01498 0.01743 -0.00004 0.04119 0.03581 0.01464
90 0.03054 -0.02889 0.00002 0.05732 0.00978 0.05183
91 -0.00859 -0.00689 -0.02020 0.09311 0.02545 0.01938
92 0.00830 0.00662 -0.02088 -0.09021 -0.02466 -0.01876
93 -0.06791 -0.10069 0.00021 -0.06263 -0.03945 -0.03533
94 0.04708 -0.04545 0.00003 0.07899 0.01995 0.07557
95 -0.01416 -0.00900 -0.03574 0.13545 0.04209 0.03170
96 0.01368 0.00862 -0.03692 -0.13123 -0.04078 -0.03070
97 -0.05725 0.00799 -0.00003 -0.68688 -0.74537 -0.13686
98 0.04100 -0.00204 -0.00001 0.16566 0.04929 0.08332
99 0.02408 0.02429 -0.00439 0.22193 0.11846 0.01710
100 -0.02333 -0.02354 -0.00447 -0.21502 -0.11478 -0.01651
101 -0.68496 -0.99414 0.00195 0.37909 -0.79010 0.19826
102 0.23590 -0.04447 -0.00014 0.08196 0.26222 -0.07105
103 0.03424 0.15107 -0.10320 0.07347 0.60812 0.14624
104 -0.03334 -0.14668 -0.10586 -0.07117 -0.58915 -0.14185
105 -0.00224 -0.00303 0.00001 0.00136 -0.00014 -0.00042
106 0.00032 0.00072 0.00031 0.00350 0.00184 0.00093
107 -0.00031 -0.00070 0.00032 -0.00339 -0.00178 -0.00090
108 -0.00129 -0.00278 0.00055 0.00144 0.00296 0.00059
109 -0.00085 -0.00050 0.00004 -0.00268 -0.00465 -0.00240
110 -0.00132 -0.00279 -0.00054 0.00136 0.00281 0.00051
111 -0.00835 -0.02307 0.00005 0.04097 0.03851 0.00295
112 0.00093 -0.00241 0.00307 0.01014 -0.00466 0.00278
113 -0.00090 0.00234 0.00317 -0.00983 0.00452 -0.00270
114 -0.01130 -0.02475 0.00474 0.04256 0.04951 0.01043
115 0.00366 0.00400 0.00029 0.00435 -0.01288 -0.01189
116 -0.01119 -0.02463 -0.00464 0.04269 0.04910 0.01005
25 26 27 28 29 30
----------- ----------- ----------- ----------- ----------- -----------
1 -0.00000 0.00511 -0.00000 -0.02494 -0.00402 -0.00058
2 -0.00001 0.01052 -0.00000 -0.04248 -0.01075 -0.00293
3 0.00003 0.02212 -0.00001 0.09429 -0.06316 -0.05827
4 0.01795 0.02049 -0.05933 -0.04215 -0.03432 0.04017
5 0.01851 -0.01989 -0.06122 0.04083 0.03324 -0.03892
6 0.00000 -0.00194 0.00000 0.11469 -0.02411 0.00162
7 0.00003 0.01507 -0.00000 0.13953 -0.07149 -0.07175
8 0.01723 0.02192 -0.05996 -0.05839 -0.04461 0.04427
9 0.01777 -0.02128 -0.06187 0.05657 0.04321 -0.04289
10 0.00014 -0.22433 0.00009 0.36820 0.40491 -0.01862
11 0.00013 0.12643 -0.00005 0.07373 -0.20423 -0.24084
12 0.07743 0.07289 -0.23780 -0.08239 -0.10901 0.14528
13 0.07985 -0.07079 -0.24538 0.07979 0.10556 -0.14076
14 -0.00053 -1.34458 0.00019 -1.11462 -1.47414 0.96032
15 -0.00055 -1.50586 0.00040 -0.17845 -0.01941 1.53099
16 -0.22469 -0.23782 0.79466 0.04130 0.33537 -0.65288
17 -0.23149 0.23089 0.82001 -0.03990 -0.32471 0.63258
18 0.00000 0.00422 -0.00000 -0.00094 -0.00148 -0.00132
19 0.00067 0.00096 -0.00161 0.00260 0.00144 0.00127
20 0.00069 -0.00093 -0.00167 -0.00252 -0.00139 -0.00123
21 -0.00057 0.00006 -0.00031 0.00069 -0.00403 -0.00163
22 -0.00004 0.00114 -0.00002 0.00168 0.00023 0.00088
23 0.00057 0.00010 0.00031 0.00075 -0.00403 -0.00161
24 0.00000 0.04194 -0.00001 -0.03210 -0.03332 -0.02595
25 0.00993 0.01269 -0.01486 0.01772 -0.00787 0.00541
26 0.01022 -0.01231 -0.01533 -0.01717 0.00762 -0.00524
27 -0.00590 0.00945 -0.00429 -0.01583 -0.04012 -0.00340
28 -0.00037 -0.00253 -0.00027 0.00033 0.01892 -0.00104
29 0.00587 0.00936 0.00427 -0.01582 -0.03952 -0.00343
30 -0.00001 -0.01871 0.00000 0.00216 -0.03015 -0.00003
31 -0.00002 -0.03359 0.00001 0.00408 -0.05684 -0.00006
32 0.00004 -0.02955 0.00001 0.21583 -0.01542 -0.04762
33 0.00531 0.03619 -0.00004 0.08579 0.04505 -0.01970
34 0.00538 -0.03506 -0.00005 -0.08313 -0.04366 0.01908
35 -0.00073 -1.18675 0.00026 0.05807 -0.79650 -0.00154
36 0.00007 -0.04210 0.00002 0.38686 0.02357 -0.16851
37 0.04114 0.05148 0.00006 0.15993 0.01774 -0.06974
38 0.04235 -0.04992 0.00008 -0.15497 -0.01720 0.06758
39 0.00419 6.30722 -0.00125 -0.49230 6.80950 0.00930
40 0.00018 -0.68506 0.00014 -0.18816 0.60634 0.50133
41 -0.03982 0.84693 -0.00118 -0.00441 -0.77316 0.21011
42 -0.04199 -0.82045 -0.00069 0.00421 0.74888 -0.20364
43 0.00095 0.82605 0.00034 -0.27628 3.81845 0.00417
44 0.00002 0.21674 -0.00007 -1.20985 0.63328 -1.08248
45 -0.48748 -0.27084 -0.00433 -0.41509 -0.92053 -0.44861
46 -0.50228 0.26312 -0.00388 0.40200 0.89138 0.43460
47 -0.00000 -0.01300 0.00000 0.01025 -0.01210 -0.00761
48 -0.00397 -0.01753 -0.00455 -0.00705 -0.00980 0.00628
49 -0.00407 0.01698 -0.00470 0.00683 0.00950 -0.00608
50 0.00493 -0.00774 -0.00187 -0.00458 -0.00347 0.00391
51 0.00031 -0.01838 -0.00012 0.00898 0.00529 -0.00758
52 -0.00494 -0.00832 0.00187 -0.00429 -0.00330 0.00367
53 -0.00045 -0.67957 0.00016 0.24189 -0.61209 0.03377
54 0.01267 0.04940 -0.01776 -0.14591 -0.24625 -0.02860
55 0.01307 -0.04790 -0.01821 0.14137 0.23854 0.02769
56 -0.01611 -0.73479 -0.00717 -0.06338 -0.52865 -0.01884
57 -0.00105 -0.03144 -0.00043 0.20841 -0.15721 0.03469
58 0.01523 -0.73580 0.00748 -0.05678 -0.53364 -0.01776
59 -0.00001 -0.01724 -0.00000 0.00201 -0.02793 -0.00002
60 -0.00003 -0.03407 -0.00000 0.00387 -0.05356 -0.00004
61 -0.00002 -0.00407 -0.00001 -0.15420 0.01392 -0.01221
62 -0.08138 0.00529 -0.00028 -0.06093 -0.03564 -0.00508
63 -0.08399 -0.00502 -0.00026 0.05905 0.03453 0.00493
64 -0.00006 -0.10597 -0.00001 -0.00229 0.03357 -0.00008
65 -0.00003 -0.00499 -0.00001 -0.21111 0.01158 0.01079
66 -0.08606 0.00650 -0.00029 -0.08433 -0.03956 0.00447
67 -0.08881 -0.00620 -0.00027 0.08172 0.03832 -0.00433
68 0.00089 1.51726 0.00002 -0.02990 0.40402 0.00181
69 -0.00007 -0.11340 0.00001 -0.57134 0.33460 -0.22370
70 -0.34932 0.14186 -0.00121 -0.19197 -0.48171 -0.09263
71 -0.36052 -0.13698 -0.00106 0.18605 0.46674 0.08981
72 -0.00234 -2.00521 -0.00056 0.52115 -7.20757 -0.00201
73 0.00031 0.26366 0.00010 1.09456 0.66385 1.58001
74 1.20942 -0.32707 0.00523 0.52265 -0.69137 0.65540
75 1.24900 0.31527 0.00502 -0.50648 0.66992 -0.63509
76 -0.00000 -0.00405 -0.00000 -0.00589 -0.00725 0.00329
77 0.00139 0.00027 -0.00126 0.00569 -0.00510 -0.00274
78 0.00144 -0.00026 -0.00130 -0.00551 0.00494 0.00265
79 -0.00173 -0.00423 -0.00054 0.00358 -0.00373 -0.00171
80 -0.00011 0.00014 -0.00003 -0.00614 -0.00375 0.00330
81 0.00172 -0.00423 0.00054 0.00339 -0.00384 -0.00160
82 -0.00009 -0.12147 -0.00001 0.01331 -0.10830 0.02774
83 0.01662 -0.00874 -0.01730 -0.00658 0.02812 -0.02313
84 0.01714 0.00843 -0.01786 0.00638 -0.02725 0.02240
85 -0.02070 -0.12335 -0.00728 0.00492 -0.10581 -0.01450
86 -0.00132 -0.01817 -0.00045 0.00148 0.05395 0.02787
87 0.02054 -0.12395 0.00725 0.00496 -0.10410 -0.01362
88 0.00001 0.00504 0.00000 0.02526 -0.00042 0.00054
89 0.00002 0.01040 0.00000 0.04358 -0.00461 0.00284
90 -0.00002 -0.03585 0.00001 -0.01420 0.07183 0.01941
91 0.01760 -0.00368 0.05925 0.07570 0.03357 -0.05624
92 0.01815 0.00357 0.06115 -0.07336 -0.03256 0.05448
93 -0.00003 -0.00174 -0.00003 -0.11002 -0.04063 -0.00155
94 -0.00001 -0.03407 0.00001 -0.01356 0.08864 0.01760
95 0.01688 0.00134 0.05990 0.11159 0.03887 -0.06670
96 0.01739 -0.00130 0.06182 -0.10813 -0.03770 0.06460
97 -0.00038 -0.22230 0.00006 -0.42258 0.35103 0.02033
98 -0.00008 -0.15157 0.00003 -0.09581 0.22287 0.05540
99 0.07598 -0.04284 0.23738 0.07576 0.08481 -0.22188
100 0.07843 0.04151 0.24506 -0.07349 -0.08231 0.21491
101 -0.00071 -1.33919 0.00046 1.31521 -1.29981 -0.97216
102 0.00062 1.04024 -0.00020 0.01910 -0.40117 -0.02086
103 -0.21915 0.81546 -0.79258 -0.15600 0.15569 1.28041
104 -0.22758 -0.79007 -0.81787 0.15148 -0.15024 -1.24028
105 0.00000 0.00127 -0.00000 -0.00085 -0.00279 0.00110
106 0.00036 0.00341 -0.00118 -0.00111 0.00223 -0.00108
107 0.00037 -0.00330 -0.00121 0.00108 -0.00217 0.00105
108 -0.00069 0.00158 -0.00085 0.00093 -0.00338 0.00173
109 -0.00005 -0.00179 -0.00005 -0.00369 -0.00145 -0.00110
110 0.00069 0.00152 0.00085 0.00081 -0.00342 0.00170
111 0.00003 0.02605 -0.00001 0.01644 -0.04853 0.00522
112 0.00221 0.02583 -0.01257 0.00033 0.00607 0.01166
113 0.00225 -0.02503 -0.01297 -0.00032 -0.00588 -0.01129
114 -0.00904 0.01746 -0.00713 0.03181 -0.02753 0.01385
115 -0.00059 -0.01827 -0.00045 -0.02320 -0.00111 -0.01947
116 0.00909 0.01688 0.00711 0.03107 -0.02757 0.01323
31 32 33 34 35 36
----------- ----------- ----------- ----------- ----------- -----------
1 -0.00000 -0.01780 0.00548 -0.01063 0.00966 -0.00799
2 -0.00000 -0.03599 0.01361 -0.02225 0.02659 -0.00896
3 -0.00000 -0.04555 0.08433 0.01252 0.04467 0.07243
4 0.05551 0.04461 0.02578 -0.01770 -0.02224 0.03809
5 0.05732 -0.04322 -0.02498 0.01714 0.02154 -0.03690
6 -0.00001 0.02792 0.00823 -0.02389 0.14047 0.11989
7 -0.00000 -0.03803 0.09874 0.01777 0.06057 0.11362
8 0.05720 0.05375 0.01957 -0.00636 -0.01780 0.05257
9 0.05908 -0.05207 -0.01897 0.00615 0.01724 -0.05093
10 0.00010 0.69084 -0.27673 0.69589 -1.48170 -0.26733
11 -0.00002 -0.27705 0.37372 0.02587 0.04549 0.18548
12 0.22156 0.15875 0.13625 -0.13523 -0.12070 0.10030
13 0.22874 -0.15378 -0.13204 0.13100 0.11695 -0.09717
14 -0.00030 -3.56516 1.33547 -3.69571 5.55950 -1.78071
15 -0.00008 -0.33668 -0.85286 -2.07081 2.65560 -1.19807
16 -0.97166 -0.62837 -0.98654 0.91005 0.45948 0.13229
17 -1.00317 0.60870 0.95589 -0.88155 -0.44516 -0.12818
18 -0.00000 -0.00253 0.00171 -0.00112 0.00419 -0.00167
19 0.00203 -0.00069 0.00385 -0.00243 -0.00000 -0.00405
20 0.00209 0.00067 -0.00373 0.00235 0.00000 0.00392
21 -0.00039 -0.00544 0.00425 -0.00435 0.00997 0.00659
22 -0.00002 0.00197 -0.00067 -0.00031 0.00270 0.00049
23 0.00039 -0.00537 0.00423 -0.00436 0.01005 0.00661
24 -0.00001 -0.06319 0.04430 -0.04223 0.09868 0.01754
25 0.01285 0.01196 0.01872 -0.01705 0.00119 -0.02672
26 0.01327 -0.01158 -0.01814 0.01652 -0.00115 0.02589
27 -0.00423 -0.06338 0.03540 -0.06371 0.14152 0.05949
28 -0.00027 0.01359 0.00139 -0.00452 0.01621 0.02864
29 0.00421 -0.06295 0.03544 -0.06385 0.14204 0.06040
30 -0.00000 -0.01714 0.00005 -0.00244 0.00001 0.03844
31 -0.00001 -0.03227 0.00009 -0.00415 -0.00001 0.03837
32 0.00001 0.00206 0.10864 -0.01355 0.12869 0.10722
33 0.04330 -0.00257 0.04508 0.01560 0.05336 -0.13353
34 0.04466 0.00250 -0.04367 -0.01512 -0.05169 0.12936
35 0.00005 -0.86440 -0.00184 -0.64845 -0.00560 -4.79900
36 0.00003 -0.05093 0.22113 0.03138 0.14591 0.26257
37 0.03065 0.06352 0.09137 -0.04096 0.06060 -0.32695
38 0.03163 -0.06152 -0.08852 0.03971 -0.05866 0.31675
39 0.00039 4.02353 0.00895 4.40181 0.02216 18.96212
40 0.00004 -1.08031 0.87279 -0.62357 1.62250 0.60166
41 0.48307 1.34257 0.36780 0.76247 0.68125 -0.74755
42 0.49944 -1.30065 -0.35638 -0.73883 -0.66014 0.72428
43 0.00057 1.11896 -0.00702 -0.18493 -0.00156 0.96030
44 0.00009 -1.20116 1.68982 0.27288 0.04233 0.32347
45 1.32604 1.49834 0.69885 -0.35133 0.01776 -0.40273
46 1.36941 -1.45146 -0.67713 0.34024 -0.01716 0.39021
47 -0.00000 -0.01169 0.00755 -0.00480 0.00266 -0.04107
48 0.00234 0.00051 -0.00624 0.00494 -0.00227 0.03692
49 0.00241 -0.00049 0.00605 -0.00478 0.00220 -0.03577
50 -0.00291 -0.00669 -0.00391 -0.00417 -0.00146 -0.04876
51 -0.00018 0.01121 0.00757 0.00931 0.00273 0.04536
52 0.00292 -0.00634 -0.00367 -0.00388 -0.00137 -0.04732
53 0.00003 -0.45812 -0.04669 -0.31410 0.08272 -2.52865
54 -0.00107 0.23409 0.03886 0.03670 -0.06999 0.15692
55 -0.00087 -0.22679 -0.03766 -0.03554 0.06778 -0.15199
56 0.00096 -0.56163 0.02294 -0.36781 -0.04741 -2.54574
57 0.00008 0.17399 -0.04611 -0.05039 0.08606 0.22528
58 -0.00098 -0.55610 0.02149 -0.36939 -0.04467 -2.53865
59 -0.00001 0.01549 0.00007 0.01066 0.00003 0.02165
60 -0.00001 0.02632 0.00015 0.02335 0.00006 0.03754
61 -0.00001 0.00027 -0.01858 -0.00059 -0.02455 0.06453
62 0.02736 -0.00024 -0.00765 0.00094 -0.01015 -0.08032
63 0.02826 0.00023 0.00742 -0.00092 0.00983 0.07782
64 0.00001 -0.09765 0.00049 0.13243 -0.00001 0.09737
65 -0.00001 -0.00196 -0.01803 0.00406 -0.01708 0.08634
66 0.03312 0.00249 -0.00745 -0.00487 -0.00701 -0.10748
67 0.03421 -0.00241 0.00722 0.00471 0.00678 0.10413
68 -0.00007 0.56064 -0.00500 -1.23114 0.00151 -1.53448
69 0.00003 -0.25500 -0.08397 0.00242 -0.25829 0.35130
70 0.09334 0.31800 -0.03401 -0.00137 -0.10547 -0.43729
71 0.09662 -0.30811 0.03295 0.00127 0.10220 0.42367
72 -0.00118 1.98399 0.02724 4.19092 0.01427 -5.80012
73 0.00022 0.30671 -0.43967 -1.28733 0.44755 0.98701
74 -0.86831 -0.38507 -0.17104 1.60249 0.19073 -1.22749
75 -0.89647 0.37303 0.16574 -1.55232 -0.18476 1.18918
76 -0.00000 0.00044 -0.00278 0.00350 -0.00334 0.00001
77 -0.00183 0.00189 0.00234 0.00233 0.00279 -0.00377
78 -0.00189 -0.00183 -0.00227 -0.00226 -0.00270 0.00365
79 0.00227 -0.00069 0.00147 0.00463 0.00173 0.00115
80 0.00014 0.00079 -0.00277 0.00631 -0.00333 -0.00390
81 -0.00228 -0.00067 0.00138 0.00483 0.00163 0.00102
82 -0.00001 -0.00671 -0.01378 0.10410 0.00515 0.08956
83 -0.00742 -0.04310 0.01191 0.00966 -0.00431 0.02460
84 -0.00768 0.04175 -0.01154 -0.00935 0.00418 -0.02384
85 0.00918 0.01597 0.00798 0.12027 -0.00244 0.10332
86 0.00060 -0.02493 -0.01416 0.04961 0.00513 0.06939
87 -0.00922 0.01518 0.00753 0.12185 -0.00229 0.10552
88 0.00000 -0.01781 -0.00552 -0.01054 -0.00974 -0.00799
89 0.00000 -0.03601 -0.01370 -0.02202 -0.02674 -0.00895
90 0.00002 -0.03090 0.07317 0.01447 -0.00445 -0.08218
91 0.05571 0.05069 0.03925 -0.01711 0.03883 -0.02602
92 0.05749 -0.04910 -0.03803 0.01657 -0.03762 0.02521
93 -0.00005 0.02811 -0.00843 -0.02309 -0.13999 0.12006
94 0.00002 -0.04565 0.07275 -0.00185 0.00871 -0.12027
95 0.05738 0.05060 0.05134 -0.01484 0.04646 -0.04442
96 0.05921 -0.04901 -0.04974 0.01436 -0.04502 0.04304
97 0.00021 0.68982 0.28003 0.68645 1.48320 -0.26836
98 0.00003 -0.05230 0.35162 0.14765 -0.12184 -0.21370
99 0.22241 0.25207 0.16296 -0.08527 0.08876 -0.06518
100 0.22967 -0.24413 -0.15786 0.08262 -0.08595 0.06313
101 0.00029 -3.55951 -1.35968 -3.65703 -5.58676 -1.78004
102 -0.00030 0.92133 -1.61540 -0.05678 1.88482 0.43918
103 -0.97443 -0.10847 -0.02161 1.73542 1.43177 0.81125
104 -1.00584 0.10482 0.02093 -1.68124 -1.38713 -0.78600
105 -0.00000 -0.00584 -0.00620 -0.00480 -0.00756 0.00192
106 -0.00055 0.00206 -0.00015 0.00069 0.00279 -0.00702
107 -0.00056 -0.00199 0.00014 -0.00067 -0.00270 0.00680
108 -0.00146 -0.00372 -0.00194 -0.00235 -0.00824 0.00475
109 -0.00009 -0.00134 -0.00382 -0.00401 -0.00607 0.00407
110 0.00145 -0.00377 -0.00206 -0.00248 -0.00843 0.00488
111 -0.00003 -0.06102 -0.04869 -0.06596 -0.12575 0.02262
112 -0.00140 0.01014 -0.01528 0.00350 0.02122 -0.03085
113 -0.00145 -0.00983 0.01481 -0.00339 -0.02056 0.02989
114 -0.01015 -0.06442 -0.03351 -0.05006 -0.12767 0.05705
115 -0.00065 0.01579 -0.00575 -0.02897 -0.04318 0.03362
116 0.01012 -0.06392 -0.03369 -0.05098 -0.12904 0.05811
37 38 39 40 41 42
----------- ----------- ----------- ----------- ----------- -----------
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2 0.00495 0.00000 0.00123 0.00746 0.00000 -0.00000
3 0.00288 0.00000 -0.02039 -0.00583 -0.00000 0.00000
4 -0.05315 0.00287 0.02384 -0.02120 0.03670 -0.02883
5 0.05150 0.00296 -0.02310 0.02053 0.03790 -0.02976
6 0.10639 -0.00000 -0.16998 -0.20876 -0.00003 -0.00000
7 0.02466 0.00000 -0.06060 -0.01207 0.00000 0.00000
8 -0.06727 0.01292 0.02709 -0.02363 0.05259 -0.04168
9 0.06518 0.01332 -0.02623 0.02288 0.05430 -0.04302
10 -0.68080 0.00002 1.04875 1.52980 0.00022 0.00007
11 -0.13204 0.00002 0.36484 0.76461 0.00013 0.00003
12 -0.19021 -0.06848 0.07649 -0.18037 0.20198 -0.17588
13 0.18426 -0.07068 -0.07407 0.17467 0.20857 -0.18153
14 -4.01524 0.00074 2.10576 6.69976 0.00131 0.00024
15 -1.76989 0.00031 0.86177 2.51556 0.00051 0.00008
16 -0.08278 -0.50426 0.16189 -0.39972 0.15527 -0.10250
17 0.08008 -0.52048 -0.15686 0.38722 0.16048 -0.10579
18 0.00181 0.00000 -0.00340 -0.00417 -0.00000 -0.00000
19 0.00719 0.00199 0.00168 0.00189 -0.01374 0.01204
20 -0.00696 0.00205 -0.00163 -0.00183 -0.01419 0.01243
21 0.00350 -0.00044 -0.00396 -0.00479 0.00277 0.00161
22 0.00239 -0.00003 -0.00143 -0.00199 0.00018 0.00010
23 0.00358 0.00044 -0.00401 -0.00485 -0.00277 -0.00161
24 0.03553 0.00000 -0.05967 -0.01270 0.00000 0.00000
25 0.04240 -0.00779 -0.01093 -0.00940 -0.01336 0.02277
26 -0.04108 -0.00803 0.01059 0.00911 -0.01379 0.02350
27 0.06928 -0.00318 -0.09097 -0.11595 0.02883 0.05849
28 0.03009 -0.00020 -0.02708 0.03037 0.00184 0.00371
29 0.07023 0.00318 -0.09183 -0.11497 -0.02886 -0.05850
30 0.07105 -0.00001 0.03359 -0.00011 -0.00000 -0.00000
31 0.09711 -0.00001 0.04623 -0.00016 -0.00000 0.00000
32 -0.05379 0.00001 -0.13841 -0.17158 -0.00003 -0.00000
33 0.06687 -0.16084 0.17141 -0.07176 -0.00000 -0.02050
34 -0.06482 -0.16598 -0.16608 0.06954 0.00006 -0.02116
35 -4.98269 0.00064 -2.17081 0.00537 0.00025 0.00013
36 -0.16438 0.00001 -0.27000 -0.49786 -0.00009 -0.00001
37 0.20455 -0.59373 0.33339 -0.20754 0.00002 -0.08752
38 -0.19829 -0.61275 -0.32307 0.20112 0.00016 -0.09034
39 14.12129 -0.00184 8.06305 -0.01858 -0.00099 -0.00047
40 -2.60303 0.00042 3.63405 6.90715 0.00115 0.00022
41 3.23575 1.86006 -4.48649 2.88259 0.00095 0.00153
42 -3.13446 1.91951 4.34682 -2.79289 -0.00115 0.00142
43 -0.62755 -0.00004 1.36981 -0.00343 -0.00008 -0.00004
44 -0.28483 0.00004 0.23204 0.59956 0.00011 0.00003
45 0.35412 0.17396 -0.28559 0.24968 0.00004 0.14599
46 -0.34303 0.17958 0.27669 -0.24187 -0.00012 0.15063
47 -0.06677 0.00001 -0.01964 0.02314 0.00001 0.00000
48 -0.05147 0.00025 0.01519 -0.01923 0.02363 -0.01347
49 0.04986 0.00025 -0.01472 0.01863 0.02440 -0.01391
50 -0.04166 -0.00030 -0.02822 -0.01184 0.00980 0.01680
51 -0.03365 -0.00002 0.00784 0.02307 0.00062 0.00107
52 -0.04273 0.00031 -0.02797 -0.01111 -0.00980 -0.01680
53 -2.55853 0.00031 -1.26584 -0.65565 0.00001 0.00002
54 0.04755 0.05688 -0.75221 0.54864 1.20358 -0.85583
55 -0.04607 0.05852 0.72900 -0.53200 1.24194 -0.88347
56 -2.48604 -0.07014 -0.95995 0.34193 0.49839 1.06593
57 0.22910 -0.00449 -0.62771 -0.65756 0.03149 0.06749
58 -2.47880 0.07079 -0.97990 0.32137 -0.49803 -1.06572
59 -0.03230 0.00000 -0.01523 0.00004 0.00000 -0.00000
60 -0.05088 0.00001 -0.01892 0.00004 0.00000 -0.00000
61 -0.08066 0.00001 -0.03212 -0.08377 -0.00001 -0.00000
62 0.10035 0.00196 0.03956 -0.03486 -0.00004 0.03966
63 -0.09721 0.00205 -0.03832 0.03376 -0.00002 0.04095
64 0.13184 -0.00003 0.42126 -0.00142 -0.00007 0.00003
65 -0.12705 0.00001 -0.01207 -0.09579 -0.00002 -0.00001
66 0.15805 0.01994 0.01457 -0.03972 -0.00007 0.07292
67 -0.15311 0.02062 -0.01411 0.03846 -0.00006 0.07528
68 2.23020 0.00002 -4.04862 0.01285 0.00055 -0.00008
69 -0.73991 0.00002 0.31900 -0.27147 -0.00012 0.00003
70 0.92051 -0.22377 -0.39828 -0.11094 -0.00029 0.68633
71 -0.89185 -0.23082 0.38581 0.10750 -0.00035 0.70836
72 2.28320 0.00043 -7.90685 0.02246 0.00071 0.00018
73 0.02866 -0.00014 1.53718 -0.77615 -0.00029 -0.00008
74 -0.03579 -0.58847 -1.91584 -0.31447 0.00021 -0.18854
75 0.03457 -0.60776 1.85605 0.30467 -0.00002 -0.19460
76 0.00391 -0.00000 0.00696 0.00223 -0.00000 0.00000
77 0.01114 -0.00128 0.01929 -0.00193 0.00943 0.01729
78 -0.01079 -0.00131 -0.01868 0.00187 0.00974 0.01785
79 0.00274 0.00159 0.00432 -0.00119 0.00392 -0.02150
80 0.01606 0.00010 0.02660 0.00218 0.00025 -0.00136
81 0.00325 -0.00159 0.00516 -0.00112 -0.00393 0.02150
82 -0.03367 -0.00000 0.21652 -0.04117 -0.00005 0.00001
83 -0.03231 0.02222 0.12764 0.03309 0.12212 -0.01879
84 0.03131 0.02294 -0.12363 -0.03212 0.12607 -0.01940
85 0.00895 -0.02761 0.16281 0.02019 0.05059 0.02349
86 0.03439 -0.00176 0.10028 -0.04074 0.00319 0.00148
87 0.01004 0.02760 0.16598 0.01893 -0.05065 -0.02346
88 0.00076 -0.00000 0.00343 -0.00754 -0.00000 -0.00000
89 0.00500 -0.00000 0.00116 -0.00746 -0.00000 -0.00000
90 0.06263 -0.00001 -0.01870 -0.02828 -0.00000 -0.00000
91 -0.02838 0.00288 0.02464 0.00687 -0.03667 -0.02886
92 0.02750 0.00297 -0.02388 -0.00664 -0.03785 -0.02979
93 0.10653 0.00002 -0.16883 0.20988 0.00004 0.00000
94 0.06872 -0.00001 -0.00252 -0.03436 -0.00000 -0.00000
95 -0.04900 0.01295 0.05124 0.00405 -0.05254 -0.04170
96 0.04749 0.01337 -0.04966 -0.00391 -0.05423 -0.04304
97 -0.68227 -0.00007 1.04080 -1.53704 -0.00036 -0.00005
98 0.29546 0.00001 -0.27372 0.16671 0.00006 0.00003
99 -0.01309 -0.06853 -0.18539 0.56731 -0.20166 -0.17615
100 0.01266 -0.07086 0.17956 -0.54948 -0.20842 -0.18188
101 -4.00776 -0.00043 2.06319 -6.71491 -0.00170 -0.00015
102 0.98278 0.00005 -0.62073 0.78010 0.00024 0.00000
103 1.05732 -0.50412 -0.44383 1.76782 -0.15488 -0.10253
104 -1.02449 -0.52058 0.42991 -1.71261 -0.16072 -0.10588
105 0.00656 -0.00000 -0.00228 0.00279 0.00000 -0.00000
106 0.00326 -0.00046 0.00076 -0.00073 -0.00352 -0.00797
107 -0.00316 -0.00048 -0.00074 0.00071 -0.00364 -0.00822
108 0.00107 -0.00146 -0.00451 0.00554 -0.00993 -0.00669
109 0.00712 -0.00009 -0.00031 0.00059 -0.00063 -0.00042
110 0.00130 0.00146 -0.00452 0.00555 0.00993 0.00669
111 0.07566 0.00000 -0.07936 0.10739 0.00002 -0.00000
112 0.00925 0.00774 0.00549 -0.06870 0.02814 -0.08187
113 -0.00896 0.00799 -0.00532 0.06654 0.02907 -0.08450
114 0.04884 0.00326 -0.08023 0.06790 -0.02274 0.01505
115 0.07006 0.00020 -0.04698 0.06403 -0.00142 0.00096
116 0.05106 -0.00326 -0.08172 0.06992 0.02276 -0.01505
43 44 45 46 47 48
----------- ----------- ----------- ----------- ----------- -----------
1 0.01844 -0.00022 -0.00214 0.00001 -0.01412 -0.00975
2 0.02355 -0.00047 -0.00615 0.00001 -0.01973 -0.00368
3 -0.05914 -0.00887 0.02023 -0.00001 -0.01423 0.04746
4 -0.01383 0.01301 0.00996 0.02401 -0.03301 0.01577
5 0.01340 -0.01260 -0.00962 0.02478 0.03199 -0.01527
6 -0.20584 0.00802 -0.18400 0.00012 -0.04041 0.66415
7 -0.14818 -0.04436 0.04977 -0.00000 -0.11424 0.24276
8 -0.02947 0.02895 0.01211 0.06327 -0.08377 0.01214
9 0.02855 -0.02802 -0.01165 0.06529 0.08118 -0.01175
10 -0.63707 -0.15008 2.07457 -0.00161 1.43109 -2.93776
11 -0.45079 0.03339 1.12510 -0.00100 1.26755 -1.30203
12 0.10411 0.11316 0.02850 -0.09995 0.05425 0.27264
13 -0.10087 -0.10965 -0.02772 -0.10311 -0.05261 -0.26416
14 -4.69508 -1.67435 -0.54160 -0.00003 1.25114 -0.62933
15 -1.65873 -0.58835 -0.73428 0.00031 0.33143 0.02414
16 -0.09592 -0.28057 0.03469 0.04403 -0.45654 -0.29902
17 0.09293 0.27184 -0.03356 0.04515 0.44232 0.28972
18 -0.00631 0.00057 -0.01636 0.00001 -0.00455 0.02352
19 -0.00586 -0.00969 -0.00315 0.00070 -0.00152 -0.01649
20 0.00567 0.00939 0.00305 0.00072 0.00147 0.01598
21 -0.00686 0.00007 0.00481 0.00077 0.00852 0.00413
22 -0.00360 0.00204 -0.00685 0.00005 0.00652 -0.00210
23 -0.00698 0.00014 0.00459 -0.00078 0.00872 0.00407
24 -0.12583 -0.02434 -0.04784 0.00003 -0.00599 0.30802
25 0.02355 0.00739 0.00502 -0.01107 0.00080 -0.08369
26 -0.02282 -0.00717 -0.00488 -0.01143 -0.00077 0.08108
27 -0.05033 0.00423 -0.09453 -0.00332 -0.05103 0.29662
28 -0.08527 0.01820 -0.04241 -0.00019 -0.01517 0.17199
29 -0.05303 0.00481 -0.09587 0.00346 -0.05151 0.30207
30 -0.00141 -0.00744 -0.00000 0.00000 0.01014 0.00816
31 -0.01050 -0.01361 -0.00000 -0.00000 0.03019 0.00743
32 0.00924 0.02121 0.10324 -0.00007 0.01772 -0.08722
33 -0.01141 -0.02664 0.04276 0.00959 -0.02216 0.10837
34 0.01105 0.02581 -0.04141 0.00992 0.02147 -0.10499
35 -3.53996 -1.23225 -0.00139 0.00036 -0.92355 0.24453
36 -0.07349 -0.44587 0.53720 -0.00018 -0.25147 -0.52220
37 0.09162 0.55351 0.22404 -0.08018 0.31195 0.64916
38 -0.08876 -0.53626 -0.21715 -0.08217 -0.30227 -0.62891
39 12.01927 -2.93657 -0.01247 0.00315 -10.45493 -1.31586
40 -2.83607 -2.76056 0.53219 0.00026 -1.72272 -2.47828
41 3.52302 3.43400 0.22718 -0.16784 2.14021 3.08048
42 -3.41317 -3.32699 -0.22028 -0.17081 -2.07356 -2.98445
43 1.16105 -1.98494 -0.00279 0.00032 -0.11035 -0.36438
44 -0.10735 -0.69866 0.62664 -0.00024 -0.08786 -0.06321
45 0.13360 0.86784 0.26151 0.33508 0.10848 0.07873
46 -0.12945 -0.84069 -0.25297 0.34644 -0.10494 -0.07629
47 -0.03697 -0.01598 -0.00620 0.00001 -0.01490 0.04359
48 0.00063 0.05822 0.00523 -0.00410 0.02240 0.01129
49 -0.00061 -0.05640 -0.00507 -0.00419 -0.02171 -0.01094
50 -0.03194 -0.03137 0.00317 0.00507 -0.00309 -0.00534
51 0.01136 0.06489 -0.00610 0.00030 0.06165 -0.08226
52 -0.03157 -0.02931 0.00297 -0.00507 -0.00114 -0.00794
53 -0.79463 -0.33976 -1.57992 0.00125 -0.94777 0.69254
54 0.94493 1.48883 1.31173 -0.08897 0.50998 1.91739
55 -0.91551 -1.44240 -1.27086 -0.08960 -0.49414 -1.85764
56 -2.11567 -0.89778 0.81352 0.10893 -0.22920 -0.34873
57 -1.15827 1.32977 -1.57431 0.00706 2.33683 1.03702
58 -2.15237 -0.85567 0.76355 -0.10953 -0.15520 -0.31589
59 0.02859 -0.04878 -0.00005 -0.00000 0.04045 -0.00099
60 0.02778 -0.04806 -0.00006 -0.00000 0.03781 -0.01567
61 0.01230 0.09005 -0.12895 0.00005 0.02683 -0.06359
62 -0.01540 -0.11177 -0.05377 -0.17654 -0.03339 0.07908
63 0.01493 0.10823 0.05189 -0.18233 0.03226 -0.07661
64 -1.24276 1.23227 0.00056 0.00042 -2.45549 -0.28857
65 0.05259 0.16953 -0.41234 0.00017 0.12184 -0.26320
66 -0.06587 -0.21003 -0.17167 -0.57771 -0.15166 0.32729
67 0.06385 0.20332 0.16565 -0.59661 0.14665 -0.31709
68 5.46890 1.48313 0.00814 -0.00322 12.06770 5.31512
69 -0.67819 -1.90813 2.00660 -0.00034 -2.01997 -0.53524
70 0.84522 2.36948 0.83863 1.35888 2.51191 0.66558
71 -0.81893 -2.29524 -0.81096 1.40544 -2.43294 -0.64479
72 0.26244 7.82961 0.01009 -0.00128 0.93904 1.77133
73 -0.09873 -0.37190 -1.35559 0.00080 0.02765 -0.28446
74 0.12240 0.46526 -0.56197 -0.83377 -0.03336 0.35411
75 -0.11854 -0.45098 0.54349 -0.86115 0.03192 -0.34307
76 -0.01184 0.03294 0.02569 -0.00001 -0.03120 -0.00533
77 0.01667 0.02580 -0.02125 0.00867 0.02858 0.01051
78 -0.01615 -0.02499 0.02060 0.00894 -0.02769 -0.01019
79 -0.02388 0.02594 -0.01323 -0.01077 -0.03095 -0.01356
80 0.00285 0.02819 0.02573 -0.00071 0.04788 0.00043
81 -0.02379 0.02684 -0.01240 0.01079 -0.02943 -0.01354
82 -0.46578 0.65194 -0.02485 0.00022 -1.18896 -0.12750
83 0.05848 -0.20765 0.02068 0.02016 -0.15554 0.09526
84 -0.05665 0.20117 -0.02005 0.02068 0.15074 -0.09228
85 -0.61239 0.65448 0.01333 -0.02496 -1.05805 -0.22551
86 -0.20550 -0.33917 -0.02580 -0.00153 0.01208 -0.04420
87 -0.61891 0.64375 0.01255 0.02528 -1.05766 -0.22692
88 0.01844 -0.00023 0.00210 0.00000 -0.01414 -0.00972
89 0.02355 -0.00048 0.00611 0.00000 -0.01975 -0.00365
90 0.04625 -0.01130 0.02210 -0.00002 0.04692 -0.04274
91 0.02987 0.01200 0.00759 0.02397 -0.00763 -0.02169
92 -0.02894 -0.01162 -0.00733 0.02475 0.00740 0.02102
93 -0.20599 0.00779 0.18433 -0.00014 -0.04047 0.66305
94 0.10960 -0.01279 0.03947 -0.00005 0.15821 -0.13597
95 0.07746 0.04200 0.02492 0.06315 0.02928 -0.14505
96 -0.07504 -0.04067 -0.02408 0.06522 -0.02833 0.14056
97 -0.63609 -0.14583 -2.07370 0.00101 1.43402 -2.93295
98 0.09993 -0.15470 0.59580 -0.00018 -0.70052 0.32154
99 0.33196 0.03418 0.68485 -0.09997 -0.76292 0.94550
100 -0.32161 -0.03314 -0.66359 -0.10270 0.73907 -0.91608
101 -4.68860 -1.67596 0.54138 -0.00031 1.25357 -0.62833
102 0.94408 0.63334 -0.32377 0.00000 0.38508 0.34847
103 0.98185 0.22698 -0.47468 0.04412 -0.43432 -0.16507
104 -0.95124 -0.21989 0.45991 0.04489 0.42082 0.15996
105 -0.00895 -0.00638 -0.00012 -0.00000 0.00198 -0.00022
106 -0.00367 -0.00397 0.01680 -0.00129 -0.00695 0.00317
107 0.00355 0.00384 -0.01627 -0.00132 0.00673 -0.00307
108 -0.00550 0.00366 0.00371 -0.00005 0.00516 0.01634
109 -0.00622 -0.00489 -0.00961 0.00000 0.01306 -0.02579
110 -0.00570 0.00350 0.00340 0.00004 0.00557 0.01553
111 -0.02410 -0.00511 0.06442 -0.00004 -0.03380 0.18601
112 -0.06085 -0.00854 -0.01868 0.00961 0.02383 0.01704
113 0.05896 0.00828 0.01811 0.00992 -0.02308 -0.01650
114 -0.10288 -0.00580 0.08612 0.00514 -0.03671 0.35883
115 0.01641 0.03734 0.05907 0.00030 -0.04307 0.05051
116 -0.10236 -0.00462 0.08799 -0.00526 -0.03808 0.36043
49 50 51 52 53 54
----------- ----------- ----------- ----------- ----------- -----------
1 -0.03831 0.00005 -0.03832 0.03430 0.00000 -0.01503
2 -0.03501 0.00004 -0.02810 0.02138 0.00000 -0.01089
3 -0.07561 0.00017 -0.12243 0.04859 0.00001 0.01221
4 0.01261 -0.12919 -0.01895 -0.00329 -0.12332 0.05156
5 -0.01225 -0.13338 0.01798 0.00313 -0.12728 -0.04997
6 0.66711 -0.00129 0.99696 -1.33604 -0.00003 0.58479
7 -0.24687 0.00053 -0.36068 0.05789 0.00002 0.11051
8 0.04348 -0.38861 -0.07032 -0.00147 -0.38899 0.18668
9 -0.04224 -0.40126 0.06700 0.00127 -0.40148 -0.18094
10 -0.20518 0.00318 -2.87570 5.60065 0.00001 -1.70274
11 1.87169 -0.00163 0.82986 1.20965 -0.00013 -0.18192
12 -0.20806 0.87178 0.25184 -0.14689 0.96075 -0.72580
13 0.20182 0.90030 -0.24143 0.14264 0.99153 0.70338
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39 -0.00279 -0.00562 4.88490 -0.00083 -0.00304 15.76205
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55 -1.03226 0.21662 -0.07022 -0.97386 0.16926 0.41934
56 0.66220 0.08701 -0.68871 0.62396 -0.20360 -3.87534
57 -1.28406 0.00624 -0.21540 -1.20893 -0.01295 -0.59106
58 0.62147 -0.08607 -0.69575 0.58563 0.20512 -3.89401
59 0.00005 0.00001 -0.01073 0.00001 -0.00000 0.02355
60 0.00005 0.00001 -0.01075 0.00000 -0.00000 0.03375
61 0.10312 -0.00001 -0.01978 0.11632 -0.00000 0.04319
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63 -0.04129 0.00000 -0.02442 -0.04673 -0.02500 0.05195
64 -0.00285 -0.00105 0.81015 -0.00048 0.00002 -1.14223
65 0.40065 -0.00006 -0.07291 0.45589 -0.00000 0.14179
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67 -0.16048 0.00001 -0.09012 -0.18326 -0.10138 0.17059
68 0.01208 0.00475 -3.61139 0.00394 -0.00011 4.61055
69 -0.58904 -0.00064 0.69189 -0.91060 0.00006 -0.95159
70 -0.24042 0.00166 -0.86490 -0.37639 0.19104 1.18396
71 0.23295 -0.00088 0.83797 0.36473 0.19734 -1.14697
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73 -0.29300 -0.00021 0.20753 0.19608 -0.00011 0.31605
74 -0.12133 -0.00013 -0.25865 0.08029 -0.31825 -0.39256
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84 -0.03426 0.18476 -0.12852 -0.04560 0.04421 0.18675
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86 -0.04295 0.00484 -0.09364 -0.05675 -0.00339 -0.02830
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88 0.03843 0.00005 -0.03826 -0.03417 0.00001 -0.01508
89 0.03510 0.00004 -0.02801 -0.02128 0.00001 -0.01091
90 -0.02288 -0.00011 0.08403 0.02041 -0.00001 -0.06844
91 -0.05358 0.12889 0.06677 0.03153 -0.12358 0.01840
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93 -0.67028 -0.00150 0.99789 1.33258 -0.00017 0.58597
94 -0.07195 -0.00034 0.26501 0.02754 -0.00002 -0.28091
95 -0.17601 0.38769 0.18924 0.03570 -0.38974 0.02531
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97 0.21447 0.00506 -2.88969 -5.59032 0.00033 -1.70704
98 0.68788 0.00071 -0.71507 0.42599 0.00009 0.96770
99 1.26940 -0.87001 -0.38462 0.82832 0.96251 -0.25130
100 -1.23025 -0.89819 0.37045 -0.80273 0.99317 0.24373
101 -5.51779 -0.00175 2.03756 -0.61057 -0.00002 -2.00214
102 0.29688 -0.00012 0.06365 -0.01315 -0.00008 0.22188
103 0.80718 0.47564 0.21286 0.46626 -0.61471 0.69934
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105 -0.03014 -0.00004 0.03002 0.02595 -0.00001 0.01843
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114 -0.31207 -0.01826 0.46429 0.60347 0.02158 0.25973
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55 56 57 58 59 60
----------- ----------- ----------- ----------- ----------- -----------
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31 -0.12511 -0.00229 0.00005 -0.09078 -0.00000 -0.06323
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36 -0.00446 -0.23588 -0.41412 0.11134 0.00001 -0.06651
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38 -0.01156 0.09492 0.16634 0.13400 0.00000 -0.08008
39 11.98044 0.22176 -0.00326 8.53870 0.00021 3.02147
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41 -1.85437 -0.39029 0.37199 0.10746 -0.00019 -1.41582
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46 -0.33593 -0.10536 0.15339 0.06685 0.00003 0.10560
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50 -0.03861 -0.01147 -0.02543 -0.04451 -0.02113 -0.00026
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55 -0.06623 -0.24095 -0.39086 -0.98201 -0.40212 0.42926
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57 -0.05452 -0.29611 -0.48595 2.31173 -0.01018 1.52299
58 -2.56070 0.09597 0.23623 -3.72769 0.16144 -1.61586
59 0.00125 -0.00001 -0.00000 -0.01484 -0.00000 0.01239
60 0.00576 0.00006 -0.00001 -0.02541 -0.00000 0.02184
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62 -0.03232 0.01380 0.02685 0.06658 -0.00001 -0.02208
63 0.03131 -0.01337 -0.02602 -0.06450 -0.00001 0.02139
64 0.59044 0.01282 -0.00013 0.25349 0.00009 -0.29056
65 0.01833 0.08614 0.19711 -0.18701 -0.00002 0.00586
66 -0.02634 0.03551 0.08175 0.23252 -0.00003 -0.00713
67 0.02550 -0.03440 -0.07921 -0.22528 -0.00003 0.00690
68 -2.76836 -0.05680 0.00093 3.28298 -0.00028 1.45460
69 0.15222 0.28734 -0.10098 -0.66697 0.00007 -0.47714
70 -0.19676 0.11289 -0.04172 0.82973 0.00008 0.59300
71 0.19064 -0.10938 0.04043 -0.80384 0.00012 -0.57453
72 -4.05302 -0.07778 0.00138 -1.13076 -0.00006 -2.17672
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74 -1.27848 0.04548 0.12164 -0.16261 -0.00005 -0.45527
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85 0.34380 0.01007 -0.04282 0.09992 0.41453 -0.34018
86 0.11699 -0.00349 0.08291 0.17098 0.02627 -1.07491
87 0.34753 0.00996 -0.04018 0.10536 -0.41445 -0.37419
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91 -0.07329 0.07676 0.06297 0.05039 -0.01037 -0.03192
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93 -0.15436 -0.33578 -0.63519 -1.14037 -0.00005 -0.54063
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95 -0.25077 0.26562 0.24516 0.19965 -0.06545 -0.02315
96 0.24290 -0.25733 -0.23753 -0.19347 -0.06755 0.02242
97 0.90104 0.85289 1.32119 4.84743 0.00019 3.29812
98 -1.17007 0.99903 -0.85567 -1.07351 -0.00005 -0.53965
99 0.46085 -0.67751 -0.53875 -1.36904 0.26499 -0.74866
100 -0.44636 0.65637 0.52200 1.32646 0.27356 0.72535
101 -0.24750 0.48297 -1.98683 -1.76365 0.00006 0.14425
102 0.48615 -0.89719 1.08847 0.31654 -0.00001 -0.15101
103 -0.39958 0.13926 0.74333 0.62409 -0.14199 0.04339
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109 -0.00804 0.00968 0.01381 0.01462 0.00022 0.01526
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115 -0.13204 0.11027 0.22923 0.07846 0.01129 0.31113
116 -0.07142 -0.15753 -0.20328 -0.43822 -0.17832 -0.23695
61 62 63 64 65 66
----------- ----------- ----------- ----------- ----------- -----------
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26 -0.08728 0.27291 0.45133 -0.56607 0.61019 0.03186
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28 0.02205 -0.67836 0.03302 0.02062 0.75515 -1.12642
29 -0.34809 0.04940 -0.52113 -0.32512 0.03239 -0.10512
30 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.02364
31 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.04861
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33 -0.07443 -0.02463 0.00002 0.33294 0.08441 0.08304
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35 -0.00010 -0.00042 -0.00000 -0.00002 0.00014 -1.44076
36 -0.00001 -0.02915 -0.00000 -0.00001 -0.31273 0.19451
37 -0.19933 -0.01213 0.00001 -0.11574 -0.12964 -0.24180
38 -0.20575 0.01176 0.00001 -0.11945 0.12561 0.23426
39 0.00014 0.00077 0.00000 0.00003 -0.00016 2.33060
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41 -0.20180 -0.11995 0.00004 0.62086 0.39099 0.32085
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43 0.00001 0.00009 -0.00000 0.00001 -0.00005 0.19981
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47 0.00000 0.08084 0.00000 -0.00000 -0.04398 -0.01601
48 0.07365 -0.06706 -0.10618 0.02964 0.03648 0.01730
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50 -0.09162 -0.04171 -0.04402 -0.03687 0.02269 0.02369
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97 -0.00052 -0.75124 1.68307 0.00026 -1.60846 -0.00007
98 0.00009 0.48406 -1.39059 -0.00005 0.33430 0.00001
99 -0.20874 0.07954 -0.19040 0.00598 0.74431 0.00095
100 -0.21584 -0.07706 0.18446 0.00640 -0.72110 0.00090
101 -0.00010 0.07738 -0.43858 0.00006 -0.28414 -0.00009
102 0.00000 -0.09646 0.35273 -0.00000 -0.01240 0.00002
103 0.19667 -0.00291 0.02757 0.07080 -0.07668 0.04445
104 0.20299 0.00282 -0.02670 0.07306 0.07431 0.04587
105 0.00000 0.00175 0.01420 0.00000 -0.00525 -0.00000
106 0.00401 -0.00580 0.02499 0.00740 0.01199 0.00645
107 0.00414 0.00562 -0.02421 0.00764 -0.01162 0.00665
108 0.00480 0.00351 -0.01322 0.01134 -0.01541 0.00824
109 0.00031 0.01819 0.00649 0.00072 -0.01900 0.00052
110 -0.00480 0.00408 -0.01302 -0.01133 -0.01602 -0.00824
111 0.00005 -0.07081 0.50393 -0.00001 0.10845 -0.00001
112 0.21838 -0.07701 0.90229 0.11928 -0.04061 0.04615
113 0.22551 0.07461 -0.87416 0.12310 0.03938 0.04764
114 0.30432 0.18885 -0.50341 0.13111 -0.27975 0.10997
115 0.01941 0.13410 0.21465 0.00828 0.20316 0.00697
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79 80 81 82 83 84
----------- ----------- ----------- ----------- ----------- -----------
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33 -0.67659 0.20912 0.46427 -0.20221 -0.14706 0.12315
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35 -1.74235 -2.88066 -0.67992 0.00065 0.13161 0.00019
36 -1.14638 0.35302 1.56110 1.85050 -0.51125 -1.36968
37 1.42808 -0.43911 -1.94016 0.76902 0.63658 -0.56757
38 -1.38355 0.42541 1.87967 -0.74504 -0.61673 0.54988
39 2.15584 6.47186 1.08524 -0.00111 -2.37332 -0.00090
40 -1.41554 0.65699 0.48778 0.50236 0.14552 -0.07744
41 1.76160 -0.81736 -0.60609 0.20868 -0.18102 -0.03210
42 -1.70667 0.79188 0.58719 -0.20217 0.17538 0.03110
43 0.37085 0.27064 0.26955 -0.00012 0.63633 0.00019
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46 -0.04618 -0.02244 0.05146 0.06620 -0.19569 0.13992
47 -0.46568 -0.36953 -0.33762 -0.38934 0.40517 0.69865
48 -0.59061 0.53074 -1.00195 0.32375 0.37876 -0.57918
49 0.57233 -0.51419 0.97071 -0.31365 -0.36695 0.56112
50 0.21807 -0.01024 0.22331 0.20081 -0.15203 -0.36036
51 0.43261 1.62260 -0.50611 -0.38907 -0.52281 0.69800
52 0.23188 0.04117 0.20728 0.18848 -0.16860 -0.33825
53 -0.12755 -1.67275 -0.92662 -0.23077 -0.12145 0.20387
54 2.13031 -1.08891 0.00787 0.19192 0.06250 -0.16901
55 -2.06395 1.05496 -0.00762 -0.18593 -0.06055 0.16374
56 -1.43300 -1.27291 -0.52747 0.11989 0.14860 -0.10496
57 0.83695 -0.98200 0.83604 -0.23201 0.66100 0.20377
58 -1.40653 -1.30402 -0.50098 0.11254 0.16955 -0.09851
59 -0.03966 0.00638 0.03172 -0.00002 -0.01013 -0.00000
60 -0.11559 0.03137 0.07225 -0.00005 -0.02308 -0.00001
61 0.00397 -0.13328 0.15282 0.01570 -0.03622 -0.06093
62 -0.00497 0.16579 -0.19011 0.00667 0.04509 -0.02524
63 0.00480 -0.16062 0.18419 -0.00646 -0.04368 0.02445
64 0.03837 0.18614 0.01603 -0.00004 0.01002 -0.00002
65 -0.22939 0.05923 0.12986 -0.03560 -0.05638 0.07928
66 0.28544 -0.07368 -0.16156 -0.01462 0.07010 0.03291
67 -0.27652 0.07138 0.15652 0.01416 -0.06791 -0.03188
68 5.93790 -2.47452 -2.18861 0.00137 1.38582 0.00050
69 -0.84936 -0.06227 0.68835 -0.19806 -0.35496 -0.13025
70 1.05672 0.07752 -0.85655 -0.08145 0.44165 -0.05381
71 -1.02378 -0.07510 0.82984 0.07891 -0.42788 0.05214
72 -0.03331 -0.84531 -0.05620 -0.00009 0.08047 0.00005
73 0.04125 0.21605 -0.17640 -0.06519 0.03684 0.14917
74 -0.05143 -0.26879 0.21937 -0.02724 -0.04590 0.06184
75 0.04983 0.26041 -0.21253 0.02639 0.04447 -0.05991
76 -0.04422 0.01611 0.01180 0.00558 -0.00121 -0.02214
77 -0.03412 0.07316 -0.06807 -0.00459 0.01046 0.01837
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79 -0.01616 -0.00360 0.01797 -0.00289 -0.00407 0.01142
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81 -0.01612 -0.00105 0.01480 -0.00271 -0.00370 0.01072
82 -0.70030 0.42744 0.32437 0.05369 -0.09492 0.07778
83 -0.13370 -0.41677 0.77623 -0.04523 -0.14361 -0.06463
84 0.12956 0.40377 -0.75203 0.04382 0.13914 0.06261
85 -0.50442 0.46430 0.07754 -0.02791 -0.06654 -0.04019
86 0.18311 -0.61561 0.77886 0.05342 -0.17990 0.07773
87 -0.49858 0.44480 0.10222 -0.02621 -0.07224 -0.03773
88 -0.01138 -0.02481 -0.03325 0.07117 -0.08461 0.05908
89 -0.03735 -0.07047 -0.09705 0.21221 -0.26343 0.19767
90 -0.00679 -0.03515 -0.03954 0.02014 0.06428 -0.06500
91 -0.00377 -0.04707 -0.04940 0.06177 0.07665 -0.14016
92 0.00366 0.04560 0.04786 -0.05984 -0.07426 0.13579
93 0.02946 -0.33398 -0.58465 0.67914 -0.16298 -0.19018
94 0.01698 0.04521 0.01283 -0.06721 -0.03373 0.05912
95 0.08484 0.05867 0.06137 -0.09612 -0.04741 0.10685
96 -0.08220 -0.05684 -0.05946 0.09312 0.04593 -0.10352
97 -0.24864 2.41981 4.02471 -5.39735 4.14839 -1.56196
98 -0.17212 -0.16552 -0.76533 0.54869 0.02650 -0.41611
99 0.28991 -0.66961 -0.96908 0.96738 0.07524 -0.68849
100 -0.28087 0.64873 0.93886 -0.93721 -0.07289 0.66702
101 -1.15923 -0.94470 -0.71140 1.49548 -0.86510 0.94259
102 0.29301 0.03307 0.05473 -0.32028 -0.06482 0.07733
103 0.11976 0.32509 0.29468 -0.32486 -0.15289 0.11723
104 -0.11603 -0.31495 -0.28549 0.31473 0.14812 -0.11358
105 -0.01182 -0.02456 -0.03468 0.05290 -0.07125 0.05823
106 0.00651 0.00809 0.00144 -0.01405 -0.00059 0.00728
107 -0.00631 -0.00783 -0.00140 0.01362 0.00057 -0.00705
108 -0.01080 -0.01351 -0.01899 0.05566 -0.07218 0.06209
109 -0.02085 -0.00509 -0.02349 0.02080 -0.00037 -0.00593
110 -0.01146 -0.01367 -0.01974 0.05632 -0.07220 0.06190
111 -0.08120 -0.68585 -0.77430 1.43464 -1.31531 0.73251
112 0.09557 0.33516 0.47706 -0.47539 -0.22482 0.43938
113 -0.09259 -0.32471 -0.46219 0.46057 0.21781 -0.42568
114 -0.23117 -0.32124 -0.61533 1.17887 -1.39599 1.01708
115 -0.04370 -0.55616 -0.70564 0.85921 0.26671 -0.72987
116 -0.23254 -0.33886 -0.63769 1.20609 -1.38754 0.99395
85 86 87 88 89 90
----------- ----------- ----------- ----------- ----------- -----------
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13 -0.02925 -0.00579 0.15022 -0.48613 -0.51258 0.51539
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23 0.00316 0.00548 0.02339 -0.00275 -0.00018 -0.01412
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27 -0.00571 -0.01142 0.01476 0.00616 -0.00172 -0.00690
28 -0.00036 0.08260 0.07136 0.00039 -0.00011 -0.03359
29 0.00571 -0.00881 0.01702 -0.00616 0.00172 -0.00796
30 0.00000 0.00000 -0.07481 0.00000 -0.00000 0.00773
31 -0.00000 -0.00000 -0.10978 0.00000 -0.00000 0.01494
32 0.00000 0.02393 -0.02994 0.00000 -0.00000 -0.01758
33 0.01439 0.00991 0.03724 0.00000 0.00122 0.02182
34 0.01485 -0.00960 -0.03608 0.00001 0.00126 -0.02114
35 0.00001 -0.00003 2.40296 -0.00003 0.00002 -0.47360
36 0.00000 -0.02196 0.98929 -0.00001 0.00001 0.00647
37 -0.03445 -0.00906 -1.23069 0.00011 0.05228 -0.00788
38 -0.03555 0.00878 1.19232 0.00009 0.05398 0.00763
39 -0.00000 -0.00001 -2.03391 0.00001 -0.00002 -0.13928
40 0.00006 1.62894 0.39318 -0.00001 0.00000 -0.78776
41 0.11984 0.67556 -0.48907 0.00006 0.02441 0.97952
42 0.12366 -0.65450 0.47382 0.00005 0.02518 -0.94898
43 -0.00000 0.00001 -0.07201 0.00000 -0.00000 -0.11929
44 -0.00000 -0.08284 0.06814 -0.00000 -0.00000 0.08494
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47 -0.00000 -0.06373 -0.02947 0.00000 -0.00000 -0.00511
48 -0.11017 0.05285 -0.53490 0.03321 0.01562 -0.01564
49 -0.11372 -0.05120 0.51822 0.03427 0.01613 0.01515
50 0.13706 0.03287 -0.00374 0.01372 -0.01954 0.02305
51 0.00868 -0.06370 -0.83462 0.00087 -0.00124 0.03216
52 -0.13706 0.03086 -0.03018 -0.01371 0.01954 0.02407
53 -0.00001 -0.50664 0.59230 -0.00001 0.00001 -0.22991
54 0.02716 0.42026 -0.81555 -0.10295 -0.04538 0.13918
55 0.02800 -0.40716 0.79012 -0.10628 -0.04683 -0.13484
56 -0.03374 0.26133 0.91527 -0.04255 0.05679 -0.22735
57 -0.00216 -0.50639 -0.68685 -0.00268 0.00359 0.23585
58 0.03377 0.24528 0.89352 0.04252 -0.05678 -0.21988
59 0.00000 -0.00000 -0.00887 0.00000 -0.00000 -0.00462
60 0.00000 -0.00001 -0.00695 0.00000 0.00000 0.00516
61 -0.00004 -1.10614 -0.56056 0.00000 -0.00000 0.00687
62 -0.88477 -0.45863 0.69735 -0.00003 -0.01262 -0.00854
63 -0.91321 0.44439 -0.67560 -0.00002 -0.01304 0.00828
64 0.00001 -0.00006 -0.46449 0.00000 -0.00001 -0.26864
65 0.00005 1.43402 1.01658 -0.00001 0.00001 -0.01160
66 1.08570 0.59458 -1.26465 0.00006 0.02530 0.01442
67 1.12060 -0.57611 1.22522 0.00005 0.02613 -0.01397
68 -0.00005 0.00040 -1.31909 0.00003 0.00000 1.74539
69 -0.00002 -0.81739 0.47337 -0.00001 0.00000 -0.25142
70 -0.68241 -0.33884 -0.58887 -0.00007 -0.04070 0.31292
71 -0.70434 0.32832 0.57051 -0.00009 -0.04200 -0.30317
72 0.00001 -0.00001 -0.05097 0.00001 0.00001 1.05693
73 0.00001 0.29277 -0.06939 -0.00000 -0.00000 -0.25510
74 0.31132 0.12138 0.08632 0.00014 0.07083 0.31736
75 0.32133 -0.11762 -0.08363 0.00015 0.07310 -0.30747
76 -0.00000 -0.01066 0.01724 0.00000 0.00000 -0.00044
77 0.01033 0.00884 -0.04326 0.05429 -0.00579 -0.01324
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79 -0.01286 0.00550 0.02002 0.02253 0.00701 0.02294
80 -0.00081 -0.01067 -0.06608 0.00143 0.00044 0.02641
81 0.01286 0.00516 0.01792 -0.02253 -0.00701 0.02378
82 0.00001 -0.09375 -0.43318 0.00000 -0.00000 -0.12544
83 -0.02095 0.07767 0.81169 -0.00295 0.00763 -0.01448
84 -0.02163 -0.07525 -0.78638 -0.00304 0.00786 0.01403
85 0.02607 0.04825 -0.61880 -0.00124 -0.00947 -0.13327
86 0.00165 -0.09363 0.96388 -0.00009 -0.00059 -0.04029
87 -0.02605 0.04528 -0.58826 0.00125 0.00946 -0.13455
88 -0.00000 0.00028 -0.00485 -0.00000 0.00000 0.00295
89 -0.00000 -0.00628 0.00615 -0.00000 0.00000 0.00016
90 0.00000 0.02729 -0.14643 0.00000 0.00000 0.83320
91 0.00633 0.04277 -0.30210 0.61770 -0.62158 -0.22928
92 0.00653 -0.04144 0.29269 0.63758 -0.64159 0.22213
93 0.00000 0.04303 0.02849 -0.00000 0.00000 -0.01108
94 -0.00000 -0.02762 0.14474 -0.00001 -0.00000 -1.02123
95 0.00061 -0.02452 0.32692 -0.74906 0.75873 0.29158
96 0.00063 0.02375 -0.31674 -0.77317 0.78315 -0.28249
97 -0.00003 -0.63237 -0.08619 0.00003 -0.00002 0.02418
98 0.00001 0.19115 0.04030 -0.00000 0.00000 0.63257
99 -0.02833 0.22585 -0.25997 0.46898 -0.49850 -0.27883
100 -0.02926 -0.21880 0.25187 0.48409 -0.51454 0.27014
101 -0.00005 -1.35053 0.55280 -0.00001 -0.00001 -0.61231
102 0.00000 0.12227 -0.10747 0.00000 0.00000 -0.10627
103 0.00952 0.38150 0.00010 -0.19527 0.23355 0.27988
104 0.00980 -0.36961 -0.00010 -0.20156 0.24105 -0.27115
105 -0.00000 -0.01053 -0.01813 -0.00000 0.00000 0.00318
106 0.00633 -0.02039 -0.01508 -0.00736 0.00882 0.00633
107 0.00653 0.01976 0.01461 -0.00760 0.00910 -0.00613
108 0.00154 -0.00335 0.03094 -0.01465 0.01135 -0.01002
109 0.00010 -0.02640 0.02828 -0.00093 0.00072 -0.03383
110 -0.00154 -0.00418 0.03184 0.01465 -0.01135 -0.01109
111 -0.00000 -0.01968 -0.04326 -0.00001 0.00001 0.01983
112 0.01643 -0.10829 0.01675 -0.00743 0.01797 0.02311
113 0.01697 0.10491 -0.01623 -0.00767 0.01855 -0.02239
114 0.00903 -0.01321 0.07189 -0.02159 0.01897 0.00597
115 0.00057 -0.03482 -0.03936 -0.00137 0.00120 -0.05829
116 -0.00903 -0.01432 0.07065 0.02157 -0.01896 0.00412
91 92 93 94 95 96
----------- ----------- ----------- ----------- ----------- -----------
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7 0.16631 -0.94365 -0.00003 1.17711 -0.37553 -0.00001
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12 -0.54926 -0.02144 0.10000 0.05814 0.08266 0.03829
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14 0.50764 -0.05055 0.00000 -0.33499 -0.27382 0.00000
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19 -0.04309 0.00513 0.03495 -0.01453 0.03011 0.01381
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93 -0.03156 -0.22869 0.00000 -0.06384 0.01786 0.00000
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95 -0.29329 0.63739 0.04539 0.79074 0.26352 -0.00516
96 0.28414 -0.61751 0.04688 -0.76608 -0.25530 -0.00532
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98 -0.75946 -0.36971 0.00000 -0.08932 -0.09399 -0.00000
99 0.15199 -0.50278 -0.10000 -0.22738 0.04839 0.03829
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101 -0.50874 -0.05062 -0.00002 0.33495 -0.27376 -0.00000
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104 -0.06891 -0.14092 0.03043 -0.03282 -0.04102 -0.02566
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108 -0.01556 0.00380 0.02850 -0.01317 -0.00350 0.00846
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116 -0.02729 -0.24273 -0.03526 -0.23282 -0.05823 -0.00044
97 98 99 100 101 102
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39 -0.00008 2.10243 8.49437 0.00000 -0.00001 0.96544
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54 -0.71575 0.15133 -0.03148 0.03640 -0.09564 0.29547
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56 -0.44514 -1.45130 -2.76402 0.01513 0.11899 -0.64513
57 0.86255 0.74025 -0.02512 0.00096 0.00754 0.63691
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59 -0.00000 -0.00130 -0.00753 -0.00000 0.00000 0.00129
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63 -0.00913 -0.05086 0.03861 -0.00000 -0.00317 0.05270
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66 -0.01833 -0.16027 0.03450 0.00000 0.00309 0.13928
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68 0.00007 4.42634 -0.37442 -0.00000 -0.00001 1.19847
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70 -0.31863 1.26162 -0.07664 0.00002 0.11504 0.36146
71 0.30870 -1.22229 0.07425 0.00003 0.11874 -0.35019
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101 -0.24515 -0.77512 -0.59171 -0.00000 0.00000 -0.36654
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116 0.05311 -0.00651 0.02292 -0.03422 0.25345 -0.16758
103 104 105 106 107 108
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28 -0.66546 0.01020 -0.00820 -0.29759 -0.01910 0.01058
29 -0.05847 -0.16096 0.12936 0.02120 0.05539 -0.49986
30 0.00001 0.00000 -0.00000 -0.00000 -0.00678 0.00000
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32 0.05917 -0.00000 0.00000 -0.00939 0.02314 -0.08147
33 0.02457 -0.00000 -0.02843 -0.00389 -0.02879 -0.03378
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36 -0.16923 0.00000 -0.00000 0.10387 -0.22159 1.02135
37 -0.07043 0.00001 0.08646 0.04307 0.27570 0.42351
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51 -0.00430 -0.00132 0.00149 0.00569 -0.00043 -0.19533
52 0.00230 0.02083 -0.02359 -0.00278 -0.05394 0.09465
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54 -0.32677 -0.28473 -0.20383 -0.46110 1.32696 0.36396
55 0.31657 -0.29388 -0.21040 0.44674 -1.28559 -0.35261
56 -0.20265 -0.11799 0.25367 -0.28684 -0.39898 0.22651
57 0.39307 -0.00747 0.01607 0.55576 0.78764 -0.43877
58 -0.19019 0.11799 -0.25367 -0.26924 -0.37402 0.21261
59 -0.00000 -0.00000 -0.00000 -0.00000 -0.00415 -0.00000
60 0.00000 -0.00000 0.00000 0.00000 0.00930 0.00000
61 0.02248 0.00000 -0.00000 0.05050 0.04076 -0.00489
62 0.00937 -0.00000 -0.00845 0.02093 -0.05071 -0.00202
63 -0.00908 -0.00000 -0.00872 -0.02028 0.04913 0.00196
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65 -0.05442 -0.00000 0.00000 -0.10174 -0.16178 0.02061
66 -0.02270 0.00000 0.01952 -0.04218 0.20126 0.00853
67 0.02200 0.00000 0.02015 0.04086 -0.19499 -0.00826
68 -0.00087 0.00000 0.00000 0.00002 0.54595 -0.00010
69 -0.16121 -0.00000 0.00000 -0.39802 -0.15173 -0.01577
70 -0.06720 0.00003 0.12092 -0.16503 0.18878 -0.00658
71 0.06510 0.00003 0.12481 0.15988 -0.18290 0.00638
72 -0.00022 0.00000 0.00000 -0.00000 0.43377 0.00001
73 0.10429 0.00000 -0.00000 0.12819 -0.01902 -0.12783
74 0.04325 -0.00001 -0.03592 0.05315 0.02365 -0.05299
75 -0.04190 -0.00001 -0.03708 -0.05149 -0.02292 0.05134
76 -0.04011 -0.00000 0.00000 -0.10922 0.04965 -0.00427
77 0.03330 -0.07038 0.03061 0.09058 -0.02045 0.00354
78 -0.03226 -0.07265 0.03159 -0.08776 0.01981 -0.00343
79 0.02070 -0.02920 -0.03806 0.05634 0.00617 0.00220
80 -0.04012 -0.00185 -0.00241 -0.10917 -0.12368 -0.00427
81 0.01943 0.02920 0.03806 0.05288 0.00225 0.00207
82 0.09127 0.00000 -0.00000 0.25045 0.13443 0.00760
83 -0.07569 0.11047 -0.06676 -0.20771 -0.07051 -0.00631
84 0.07333 0.11403 -0.06891 0.20123 0.06831 0.00611
85 -0.04715 0.04583 0.08302 -0.12918 0.24644 -0.00394
86 0.09140 0.00291 0.00526 0.25032 0.11417 0.00762
87 -0.04426 -0.04583 -0.08301 -0.12125 0.25006 -0.00369
88 0.00316 -0.00000 0.00000 -0.00045 0.00127 -0.00005
89 -0.00014 -0.00000 0.00000 0.00034 -0.00121 0.00093
90 0.04740 -0.00000 0.00000 -0.03737 -0.00449 0.00710
91 0.03495 0.02087 -0.01653 0.02530 -0.00024 -0.02279
92 -0.03386 0.02154 -0.01706 -0.02451 0.00023 0.02207
93 0.04276 -0.00000 0.00000 0.03118 0.05401 0.33834
94 -0.08911 0.00000 -0.00000 0.06304 0.03020 -0.03482
95 -0.07304 -0.03890 0.03370 -0.06150 -0.00622 0.00576
96 0.07076 -0.04015 0.03478 0.05958 0.00603 -0.00558
97 0.27485 0.00000 -0.00000 0.29793 -0.33105 -1.64891
98 -0.05331 -0.00000 0.00000 -0.25353 -0.38848 0.41524
99 -0.08944 0.11313 -0.12131 -0.02167 0.29111 0.65240
100 0.08665 0.11677 -0.12521 0.02099 -0.28203 -0.63206
101 0.10640 -0.00000 -0.00000 -0.11052 -0.19615 -0.54759
102 0.05006 0.00000 0.00000 0.05204 0.12703 -0.03483
103 -0.00618 0.00490 -0.00451 0.05139 -0.02374 0.05927
104 0.00599 0.00506 -0.00465 -0.04979 0.02300 -0.05742
105 0.67886 -0.00002 0.00000 -0.36011 -0.64603 -0.21518
106 -0.18339 0.10190 -0.73521 -0.73317 -0.44134 0.68825
107 0.17768 0.10519 -0.75888 0.71029 0.42758 -0.66679
108 -0.33972 0.69625 -0.46397 0.19311 0.32842 0.12715
109 -0.66204 0.04412 -0.02940 -0.71993 -0.68404 -1.03790
110 -0.36071 -0.69623 0.46396 0.17033 0.30674 0.09427
111 -0.30273 0.00001 -0.00000 0.22714 0.53781 0.33604
112 0.12800 -0.06385 0.43400 0.44828 0.34370 -0.60238
113 -0.12402 -0.06592 0.44797 -0.43429 -0.33298 0.58360
114 0.22321 -0.40151 0.28125 -0.09493 -0.24762 0.01292
115 0.30636 -0.02544 0.01782 0.42219 0.56923 0.93373
116 0.23292 0.40150 -0.28125 -0.08158 -0.22959 0.04250
109 110 111 112 113 114
----------- ----------- ----------- ----------- ----------- -----------
1 0.00057 0.00022 0.02433 0.01922 -0.01045 -0.00332
2 -0.00173 -0.00955 -1.48754 -1.49066 -0.03976 0.00433
3 -0.01467 0.00785 0.02126 0.02812 0.01522 0.00381
4 -0.01491 -0.00899 -0.00353 0.00217 0.00133 -0.00591
5 0.01445 0.00871 0.00342 -0.00210 -0.00129 0.00573
6 -0.44652 0.07724 6.02664 6.01601 0.18498 0.04347
7 -0.06075 -0.01134 -0.06024 -0.06188 -0.11693 -0.00288
8 0.02879 0.01833 0.00599 -0.00312 0.00221 0.01383
9 -0.02790 -0.01776 -0.00580 0.00302 -0.00214 -0.01340
10 2.19683 -0.14237 3.51620 3.92020 0.39491 -0.19594
11 1.21765 -0.09045 0.08378 0.22837 0.12801 -0.10223
12 0.02472 -0.02718 -0.01282 0.00778 0.00296 -0.03204
13 -0.02395 0.02633 0.01242 -0.00754 -0.00286 0.03104
14 -0.22298 -0.08448 -1.22354 -0.95519 -0.88649 -0.07868
15 -0.20848 0.01197 -0.19747 -0.04154 -0.33826 0.01553
16 0.00500 -0.03383 -0.01713 0.01646 0.03139 -0.03699
17 -0.00484 0.03278 0.01660 -0.01595 -0.03041 0.03584
18 -0.84175 -0.00472 -2.36964 -2.37190 -0.07366 0.00971
19 -0.08578 -0.01293 -0.00714 0.00674 0.00062 -0.00873
20 0.08311 0.01253 0.00691 -0.00653 -0.00061 0.00846
21 0.41370 -0.01785 -2.36966 -2.37760 -0.08674 -0.00084
22 0.10552 -0.00643 0.01305 -0.00074 0.00090 -0.00595
23 0.41704 -0.01805 -2.36924 -2.37762 -0.08671 -0.00103
24 0.54187 -0.03755 -1.88917 -1.93539 -0.19820 -0.01851
25 0.09559 0.03680 0.01870 -0.01753 0.01721 0.03008
26 -0.09261 -0.03566 -0.01812 0.01699 -0.01667 -0.02914
27 -0.55213 0.01507 -1.88768 -1.91973 -0.04519 0.03354
28 -0.09306 0.01905 -0.03080 0.00100 0.00007 0.02067
29 -0.55508 0.01568 -1.88866 -1.91970 -0.04519 0.03420
30 0.02027 0.01344 -0.00000 -0.06205 2.54178 0.00990
31 -0.22632 -0.01726 0.00000 0.05944 -4.52142 -0.03522
32 -0.02643 0.00686 -0.05019 -0.01382 0.00339 0.01897
33 0.03287 -0.00854 -0.02081 0.01719 -0.00422 -0.02360
34 -0.03185 0.00827 0.02016 -0.01665 0.00408 0.02286
35 -1.41303 -0.09544 0.00000 -0.36836 4.99620 -0.01213
36 0.35748 -0.08771 0.04043 -0.02016 0.10532 -0.07062
37 -0.44464 0.10911 0.01676 0.02507 -0.13103 0.08785
38 0.43077 -0.10571 -0.01624 -0.02429 0.12694 -0.08511
39 2.73934 -0.05323 -0.00003 -0.09334 10.80160 -0.01294
40 0.13244 -0.33820 0.01134 0.15128 0.18053 -0.35288
41 -0.16467 0.42072 0.00469 -0.18819 -0.22458 0.43899
42 0.15953 -0.40760 -0.00455 0.18232 0.21758 -0.42530
43 0.07824 0.51788 0.00001 0.50602 0.24555 0.54333
44 0.01413 0.10857 -0.23284 -0.09493 0.05062 0.11656
45 -0.01757 -0.13507 -0.09654 0.11810 -0.06297 -0.14501
46 0.01702 0.13086 0.09353 -0.11442 0.06101 0.14049
47 -0.57465 -0.02853 0.04464 0.07326 -2.72127 -0.05111
48 -0.10350 0.11339 -0.03703 0.03200 -0.05502 0.08689
49 0.10027 -0.10985 0.03587 -0.03100 0.05330 -0.08418
50 -0.43041 -0.07190 -0.02303 0.00751 -2.74255 -0.08618
51 0.12595 0.09866 0.04462 -0.08263 -0.13525 0.07179
52 -0.42642 -0.06877 -0.02161 0.00489 -2.74684 -0.08391
53 -1.82720 -0.10944 0.07949 -0.25338 -3.26687 -0.12026
54 0.32271 0.03680 -0.06593 0.02800 -0.10414 0.01282
55 -0.31264 -0.03565 0.06387 -0.02713 0.10089 -0.01243
56 -1.55484 -0.14498 -0.04100 -0.15239 -3.24142 -0.14791
57 1.09763 -0.01227 0.07945 0.25493 -0.12027 -0.03579
58 -1.52006 -0.14537 -0.03848 -0.14431 -3.24523 -0.14904
59 0.00312 -0.05823 -0.00000 0.00080 -0.00692 2.70444
60 -0.00545 -1.99018 0.00000 0.01039 0.01967 -4.29944
61 0.02067 0.00003 -0.00413 0.00233 -0.01810 -0.00445
62 -0.02571 -0.00003 -0.00171 -0.00290 0.02252 0.00554
63 0.02491 0.00003 0.00166 0.00281 -0.02182 -0.00536
64 0.03523 7.86409 -0.00000 0.00362 -0.11275 5.36373
65 -0.02561 -0.00498 0.00376 -0.01919 0.11818 0.01222
66 0.03187 0.00619 0.00156 0.02388 -0.14702 -0.01520
67 -0.03088 -0.00600 -0.00151 -0.02313 0.14243 0.01472
68 1.12843 6.07469 0.00000 0.10647 -0.34272 5.90654
69 -0.28774 -0.21592 -0.10358 -0.06552 0.08361 -0.20589
70 0.35797 0.26861 -0.04295 0.08151 -0.10401 0.25613
71 -0.34681 -0.26023 0.04161 -0.07897 0.10077 -0.24815
72 -0.59048 -1.37631 -0.00000 -0.01265 -1.89042 -1.43731
73 0.12823 0.04854 0.03797 -0.00208 0.32101 0.05075
74 -0.15954 -0.06038 0.01575 0.00259 -0.39935 -0.06314
75 0.15457 0.05850 -0.01526 -0.00251 0.38690 0.06117
76 -0.03280 -3.30730 0.00092 0.01990 0.02327 -2.30593
77 -0.00461 -0.00137 -0.00076 -0.00125 -0.05520 -0.00005
78 0.00447 0.00133 0.00074 0.00121 0.05348 0.00004
79 -0.00580 -3.30962 -0.00047 0.01992 0.03863 -2.30772
80 0.04810 -0.00706 0.00092 -0.00202 -0.05991 -0.00377
81 -0.00428 -3.30984 -0.00044 0.01986 0.03673 -2.30784
82 0.07632 -2.60629 0.01179 0.03917 0.02193 -2.31401
83 0.02628 -0.08488 -0.00978 -0.00101 0.19644 -0.05989
84 -0.02546 0.08223 0.00947 0.00098 -0.19031 0.05803
85 0.01018 -2.57963 -0.00608 0.03756 -0.02930 -2.29453
86 -0.09295 -0.08583 0.01178 -0.00499 0.22024 -0.05919
87 0.00724 -2.58235 -0.00571 0.03740 -0.02233 -2.29640
88 0.00057 0.00022 -0.02433 0.01922 -0.01045 -0.00332
89 -0.00173 -0.00955 1.48749 -1.49071 -0.03976 0.00433
90 0.02531 0.00692 0.00638 -0.01668 -0.00922 0.00523
91 0.00167 -0.00938 0.01499 -0.01641 -0.00880 -0.00533
92 -0.00161 0.00908 -0.01452 0.01589 0.00853 0.00516
93 -0.44649 0.07724 -6.02644 6.01622 0.18498 0.04347
94 -0.00434 -0.01643 -0.02290 0.03471 0.05580 -0.01524
95 0.05219 0.01621 -0.04046 0.03693 0.07383 0.00871
96 -0.05056 -0.01571 0.03920 -0.03578 -0.07153 -0.00844
97 2.19666 -0.14237 -3.51607 3.92032 0.39491 -0.19595
98 -0.63862 0.07800 0.02644 -0.12358 -0.06757 0.08975
99 -0.74493 0.04267 0.05851 -0.13815 -0.07814 0.04756
100 0.72170 -0.04133 -0.05669 0.13384 0.07570 -0.04608
101 -0.22304 -0.08447 1.22351 -0.95523 -0.88648 -0.07868
102 0.09821 0.03480 -0.11940 0.00092 0.13128 0.03684
103 0.13218 -0.02437 -0.11426 0.03407 0.22608 -0.02815
104 -0.12805 0.02361 0.11070 -0.03301 -0.21903 0.02727
105 0.00972 -0.02003 2.37862 -2.37193 -0.08342 -0.00131
106 -0.79191 -0.00024 -0.00038 0.00669 0.00872 0.00040
107 0.76722 0.00023 0.00037 -0.00648 -0.00845 -0.00039
108 -0.02552 -0.00996 2.36490 -2.37771 -0.08170 0.00484
109 0.95652 -0.02173 -0.00400 -0.00069 -0.00885 -0.01696
110 0.00479 -0.01064 2.36478 -2.37773 -0.08198 0.00430
111 -0.18713 0.01719 1.86552 -1.93465 -0.07309 0.03116
112 0.70016 -0.00859 0.00085 -0.01820 -0.08655 -0.01111
113 -0.67833 0.00832 -0.00082 0.01763 0.08385 0.01076
114 -0.17608 -0.01316 1.89978 -1.92021 -0.10972 0.00792
115 -0.82166 0.07376 0.00723 0.00181 0.12512 0.07031
116 -0.20211 -0.01082 1.90001 -1.92016 -0.10576 0.01015
115 116
----------- -----------
1 1.94181 1.94802
2 -2.93106 -2.95989
3 0.01809 0.02015
4 -0.00226 0.00094
5 0.00219 -0.00091
6 3.64650 3.69409
7 -0.05630 -0.05146
8 0.00421 -0.00097
9 -0.00407 0.00094
10 2.91369 3.36797
11 0.06455 0.22772
12 -0.01206 0.00980
13 0.01168 -0.00950
14 -1.07564 -0.86239
15 -0.17283 -0.04133
16 -0.01752 0.01342
17 0.01697 -0.01300
18 -1.43653 -1.46475
19 -0.00513 0.00382
20 0.00497 -0.00370
21 -1.43759 -1.46891
22 0.00934 0.00019
23 -1.43729 -1.46890
24 -1.42799 -1.48337
25 0.01552 -0.00957
26 -0.01504 0.00927
27 -1.41744 -1.46824
28 -0.02693 -0.00248
29 -1.41829 -1.46832
30 0.00000 0.03292
31 -0.00000 -0.07368
32 -0.03021 -0.00678
33 -0.01253 0.00844
34 0.01213 -0.00817
35 0.00000 -0.30680
36 0.01734 -0.02922
37 0.00719 0.03635
38 -0.00697 -0.03521
39 -0.00001 0.11376
40 0.02521 0.13675
41 0.01045 -0.17012
42 -0.01013 0.16481
43 0.00001 0.46763
44 -0.21109 -0.08630
45 -0.08753 0.10737
46 0.08480 -0.10402
47 0.05229 0.02420
48 -0.04337 0.03418
49 0.04202 -0.03312
50 -0.02698 -0.04322
51 0.05227 -0.08246
52 -0.02532 -0.04584
53 0.08093 -0.33704
54 -0.06712 0.04376
55 0.06503 -0.04239
56 -0.04175 -0.23531
57 0.08090 0.28261
58 -0.03919 -0.22636
59 0.00000 0.00559
60 -0.00000 -0.00977
61 -0.00120 0.00334
62 -0.00050 -0.00416
63 0.00048 0.00403
64 0.00000 0.05663
65 -0.00079 -0.02113
66 -0.00033 0.02628
67 0.00032 -0.02546
68 0.00001 0.21754
69 -0.10256 -0.08261
70 -0.04252 0.10277
71 0.04120 -0.09956
72 0.00000 -0.06269
73 0.03470 0.00934
74 0.01439 -0.01162
75 -0.01394 0.01126
76 -0.00045 -0.00473
77 0.00037 -0.00169
78 -0.00036 0.00164
79 0.00023 -0.00425
80 -0.00045 -0.00181
81 0.00022 -0.00431
82 0.01794 0.02046
83 -0.01488 -0.00351
84 0.01442 0.00340
85 -0.00926 0.01714
86 0.01794 -0.01268
87 -0.00869 0.01673
88 -1.94176 1.94807
89 2.93100 -2.95995
90 0.00632 -0.01121
91 0.01239 -0.01207
92 -0.01200 0.01169
93 -3.64642 3.69416
94 -0.02308 0.02691
95 -0.03712 0.03152
96 0.03596 -0.03054
97 -2.91362 3.36803
98 0.01773 -0.12569
99 0.04618 -0.13674
100 -0.04474 0.13247
101 1.07562 -0.86242
102 -0.10754 0.00449
103 -0.09874 0.03242
104 0.09566 -0.03141
105 1.44377 -1.46566
106 -0.00091 0.00455
107 0.00088 -0.00441
108 1.43380 -1.46848
109 -0.00207 -0.00070
110 1.43374 -1.46850
111 1.40090 -1.47692
112 0.00692 -0.01494
113 -0.00670 0.01448
114 1.43136 -1.47161
115 -0.00012 0.00399
116 1.43136 -1.47149
center of mass
--------------
x = -0.01820823 y = 0.02265159 z = -0.02194526
moments of inertia (a.u.)
------------------
154.190366180607 0.045385054756 -0.043783056320
0.045385054756 228.770765056039 77.056519280044
-0.043783056320 77.056519280044 233.653425043970
Multipole analysis of the density
---------------------------------
L x y z total alpha beta nuclear
- - - - ----- ----- ---- -------
0 0 0 0 -0.000000 -16.000000 -16.000000 32.000000
1 1 0 0 -0.264807 -0.132403 -0.132403 0.000000
1 0 1 0 0.327897 0.163949 0.163949 0.000000
1 0 0 1 -0.317535 -0.158767 -0.158767 0.000000
2 2 0 0 -16.281576 -44.980334 -44.980334 73.679091
2 1 1 0 0.553251 0.704247 0.704247 -0.855244
2 1 0 1 -0.535906 -0.682197 -0.682197 0.828488
2 0 2 0 -15.673511 -27.194539 -27.194539 38.715566
2 0 1 1 1.542328 19.525360 19.525360 -37.508392
2 0 0 2 -15.575555 -25.957207 -25.957207 36.338859
Task times cpu: 14.8s wall: 15.4s
NWChem Input Module
-------------------
Limits (a.u.) specified for the density plot:
---------------------------------------------
From To # of spacings
X -28.34590 28.34590 96
Y -28.34590 28.34590 96
Z -28.34590 28.34590 96
Total number of grid points = 912673
1-st set of MOs : dft-b3lyp-C1F2O1-95079.movecs
Output is written to : homo-restricted.cube
Type of picture : ORBITAL VIEW
Format used : Gaussian9x Cube
Spin : ALPHA
The orbital 16 is plotted
max element 0.49646994848312970
Task times cpu: 1.3s wall: 1.4s
NWChem Input Module
-------------------
Limits (a.u.) specified for the density plot:
---------------------------------------------
From To # of spacings
X -28.34590 28.34590 96
Y -28.34590 28.34590 96
Z -28.34590 28.34590 96
Total number of grid points = 912673
1-st set of MOs : dft-b3lyp-C1F2O1-95079.movecs
Output is written to : lumo-restricted.cube
Type of picture : ORBITAL VIEW
Format used : Gaussian9x Cube
Spin : ALPHA
The orbital 17 is plotted
max element 0.41000455142626951
Task times cpu: 1.3s wall: 1.3s
NWChem Input Module
-------------------
Summary of allocated global arrays
-----------------------------------
No active global arrays
GA Statistics for process 0
------------------------------
create destroy get put acc scatter gather read&inc
calls: 304 304 1.08e+04 1964 3991 0 0 3219
number of processes/call 1.29e+00 1.47e+00 1.15e+00 0.00e+00 0.00e+00
bytes total: 7.77e+07 8.72e+06 4.13e+07 0.00e+00 0.00e+00 2.58e+04
bytes remote: 2.62e+07 3.25e+06 1.21e+07 0.00e+00 0.00e+00 0.00e+00
Max memory consumed for GA by this process: 1103400 bytes
MA_summarize_allocated_blocks: starting scan ...
MA_summarize_allocated_blocks: scan completed: 0 heap blocks, 0 stack blocks
MA usage statistics:
allocation statistics:
heap stack
---- -----
current number of blocks 0 0
maximum number of blocks 24 53
current total bytes 0 0
maximum total bytes 80136 29339048
maximum total K-bytes 81 29340
maximum total M-bytes 1 30
CITATION
--------
Please cite the following reference when publishing
results obtained with NWChem:
M. Valiev, E.J. Bylaska, N. Govind, K. Kowalski,
T.P. Straatsma, H.J.J. van Dam, D. Wang, J. Nieplocha,
E. Apra, T.L. Windus, W.A. de Jong
"NWChem: a comprehensive and scalable open-source
solution for large scale molecular simulations"
Comput. Phys. Commun. 181, 1477 (2010)
doi:10.1016/j.cpc.2010.04.018
AUTHORS
-------
E. Apra, E. J. Bylaska, W. A. de Jong, N. Govind, K. Kowalski,
T. P. Straatsma, M. Valiev, H. J. J. van Dam, D. Wang, T. L. Windus,
J. Hammond, J. Autschbach, K. Bhaskaran-Nair, J. Brabec, K. Lopata,
S. A. Fischer, S. Krishnamoorthy, M. Jacquelin, W. Ma, M. Klemm, O. Villa,
Y. Chen, V. Anisimov, F. Aquino, S. Hirata, M. T. Hackler, V. Konjkov,
D. Mejia-Rodriguez, T. Risthaus, M. Malagoli, A. Marenich,
A. Otero-de-la-Roza, J. Mullin, P. Nichols, R. Peverati, J. Pittner, Y. Zhao,
P.-D. Fan, A. Fonari, M. J. Williamson, R. J. Harrison, J. R. Rehr,
M. Dupuis, D. Silverstein, D. M. A. Smith, J. Nieplocha, V. Tipparaju,
M. Krishnan, B. E. Van Kuiken, A. Vazquez-Mayagoitia, L. Jensen, M. Swart,
Q. Wu, T. Van Voorhis, A. A. Auer, M. Nooijen, L. D. Crosby, E. Brown,
G. Cisneros, G. I. Fann, H. Fruchtl, J. Garza, K. Hirao, R. A. Kendall,
J. A. Nichols, K. Tsemekhman, K. Wolinski, J. Anchell, D. E. Bernholdt,
P. Borowski, T. Clark, D. Clerc, H. Dachsel, M. J. O. Deegan, K. Dyall,
D. Elwood, E. Glendening, M. Gutowski, A. C. Hess, J. Jaffe, B. G. Johnson,
J. Ju, R. Kobayashi, R. Kutteh, Z. Lin, R. Littlefield, X. Long, B. Meng,
T. Nakajima, S. Niu, L. Pollack, M. Rosing, K. Glaesemann, G. Sandrone,
M. Stave, H. Taylor, G. Thomas, J. H. van Lenthe, A. T. Wong, Z. Zhang.
Total times cpu: 17.4s wall: 18.1s
# MYMACHINENAME: Eric Bylaska - orbital.emsl.pnl.gov :MYMACHINENAME