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=80168 datafilename=mo_orbital_nwchemarrows-2025-2-10-20-15-188161.out-346432-2025-2-11-6:37:2
argument 1 = /home/bylaska/Projects/Work/RUNARROWS0/nwchemarrows-2021-7-23-6-52-125950.nw
============================== echo of input deck ==============================
permanent_dir /home/bylaska/Projects/Work/RUNARROWS0
scratch_dir /home/bylaska/Projects/Work/RUNARROWS0
######################### START NWCHEM INPUT DECK - NWJOB 125950 ########################
#
# NWChemJobId: 60fa913da22f149015471586
#
# NWChem Input Generation (tnt_submit5) - The current time is Fri Jul 23 02:51:52 2021
# - adding tag homolumoresubmitjob:60004:homolumoresubmitjob osmiles:CO:osmiles to input deck.
#
# - pubchem_synonyms = ['methanol', 'methyl alcohol', 'wood alcohol', 'carbinol', '67-56-1', 'Wood spirit', 'Wood naphtha', 'Methylol', 'Methyl hydroxide', 'Pyroxylic spirit', 'Colonial Spirit', 'Columbian Spirit', 'Columbian spirits', 'Monohydroxymethan
#
# - queue_number = 125950
# - mformula = C1H4O1
# - name = /srv/arrows/Projects/Work/homolumo-60004.xyz theory{dft} xc{m06-2x} basis{6-311++G(2d,2p)} solvation_type{COSMO} calculation_type{cb} ^{-2} basisHZ{default} property{mo_coefficients}
# - smiles = CO
# - csmiles = CO
# - InChI = InChI=1S/CH4O/c1-2/h2H,1H3
# - InChIKey = OKKJLVBELUTLKV-UHFFFAOYSA-N
# - pubchem_cid = 887
# - pubchem_smiles = CO
# - pubchem_iupac = methanol
# - pubchem_synonym0 = methanol
# - theory = dft
# - pspw4 = False
# - paw = False
# - xc = m06-2x
# - basis = 6-311++G(2d,2p)
# - basisHZ = default
# - theory_property = dft
# - property_pspw4 = False
# - property_paw = False
# - xc_property = m06-2x
# - basis_property = 6-311++G(2d,2p)
# - basisHZ_property = default
# - type = cb
# - solvation_type = COSMO
# - charge = -2
# - 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
#
#
#
#
# O ___________ H
#
#
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#
# /
# /
# /
# /
# /
# /
# |
# /
# /
# /
# /
# H ____________________
# |\__
# | \__
# | \_
# | \__
# | \__
# | \__
# |
# |
# |
# | H
# |
# |
# |
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# H
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#
title "swnc: cb theory=dft xc=m06-2x formula=C1H4O1 charge=-2 mult=1"
#machinejob:Shirky
#vtag= homolumoresubmitjob:60004:homolumoresubmitjob osmiles:CO:osmiles
echo
start dft-m06-2x-125950
memory 1900 mb
charge -2
geometry units angstroms print xyz noautosym noautoz
C -0.660552 0.028912 -0.022049
O 0.758340 0.052220 -0.039842
H -1.067852 0.167659 0.982829
H -1.067866 -0.903536 -0.421499
H -1.002295 0.849858 -0.648246
H 1.080437 -0.669672 0.510839
end
basis "ao basis" cartesian print
C library 6-311++G(2d,2p)
H 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 m06-2x
iterations 5001
end
unset scf:converged
cosmo
do_gasphase .true.
rsolv 0.0
ifscrn 2
minbem 3
maxbem 3
radius 2.096000 1.576000 1.172000 1.172000 1.172000 1.172000
end
task dft energy ignore
### Generating HOMO and LUMO Gaussian cube files ###
dplot
TITLE HOMO_Orbital
vectors dft-m06-2x-125950.movecs
LimitXYZ
-15.0 15.0 96
-15.0 15.0 96
-15.0 15.0 96
spin total
orbitals view
1
10
gaussian
output homo-restricted.cube
end
task dplot
dplot
TITLE LUMO_Orbital
vectors dft-m06-2x-125950.movecs
LimitXYZ
-15.0 15.0 96
-15.0 15.0 96
-15.0 15.0 96
spin total
orbitals view
1
11
gaussian
output lumo-restricted.cube
end
task dplot
######################### END NWCHEM INPUT DECK - NWJOB 125950 ########################
================================================================================
Northwest Computational Chemistry Package (NWChem) 7.0.1
--------------------------------------------------------
Environmental Molecular Sciences Laboratory
Pacific Northwest National Laboratory
Richland, WA 99352
Copyright (c) 1994-2020
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 = arrow14
program = /home/bylaska/bin/nwchem
date = Fri Jul 23 06:52:04 2021
compiled = Wed_May_19_13:18:11_2021
source = /home/bylaska/nwchem-releases/nwchem
nwchem branch = 7.0.0
nwchem revision = nwchem_on_git-2570-ge89dbc1
ga revision = 5.8.0
use scalapack = F
input = /home/bylaska/Projects/Work/RUNARROWS0/nwchemarrows-2021-7-23-6-52-125950.nw
prefix = dft-m06-2x-125950.
data base = /home/bylaska/Projects/Work/RUNARROWS0/dft-m06-2x-125950.db
status = startup
nproc = 32
time left = -1s
Memory information
------------------
heap = 62259198 doubles = 475.0 Mbytes
stack = 62259195 doubles = 475.0 Mbytes
global = 124518400 doubles = 950.0 Mbytes (distinct from heap & stack)
total = 249036793 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=m06-2x formula=C1H4O1 charge=-2 mult=1
-------------------------------------------------------------
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 C 6.0000 -0.66309822 0.02693750 -0.02054306
2 O 8.0000 0.75579378 0.05024550 -0.03833606
3 H 1.0000 -1.07039822 0.16568450 0.98433494
4 H 1.0000 -1.07041222 -0.90551050 -0.41999306
5 H 1.0000 -1.00484122 0.84788350 -0.64674006
6 H 1.0000 1.07789078 -0.67164650 0.51234494
Atomic Mass
-----------
C 12.000000
O 15.994910
H 1.007825
Effective nuclear repulsion energy (a.u.) 40.3116746329
Nuclear Dipole moment (a.u.)
----------------------------
X Y Z
---------------- ---------------- ----------------
0.0000000000 0.0000000000 0.0000000000
XYZ format geometry
-------------------
6
geometry
C -0.66309822 0.02693750 -0.02054306
O 0.75579378 0.05024550 -0.03833606
H -1.07039822 0.16568450 0.98433494
H -1.07041222 -0.90551050 -0.41999306
H -1.00484122 0.84788350 -0.64674006
H 1.07789078 -0.67164650 0.51234494
==============================================================================
internuclear distances
------------------------------------------------------------------------------
center one | center two | atomic units | angstroms
------------------------------------------------------------------------------
2 O | 1 C | 2.68189 | 1.41919
3 H | 1 C | 2.06571 | 1.09313
4 H | 1 C | 2.06571 | 1.09313
5 H | 1 C | 2.05526 | 1.08760
6 H | 2 O | 1.82055 | 0.96339
------------------------------------------------------------------------------
number of included internuclear distances: 5
==============================================================================
==============================================================================
internuclear angles
------------------------------------------------------------------------------
center 1 | center 2 | center 3 | degrees
------------------------------------------------------------------------------
2 O | 1 C | 3 H | 112.46
2 O | 1 C | 4 H | 112.46
2 O | 1 C | 5 H | 107.13
3 H | 1 C | 4 H | 107.78
3 H | 1 C | 5 H | 108.45
4 H | 1 C | 5 H | 108.45
1 C | 2 O | 6 H | 108.35
------------------------------------------------------------------------------
number of included internuclear angles: 7
==============================================================================
library name resolved from: .nwchemrc
library file name is:
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
H (Hydrogen)
------------
Exponent Coefficients
-------------- ---------------------------------------------------------
1 S 3.38650000E+01 0.025494
1 S 5.09479000E+00 0.190373
1 S 1.15879000E+00 0.852161
2 S 3.25840000E-01 1.000000
3 S 1.02741000E-01 1.000000
4 S 3.60000000E-02 1.000000
5 P 1.50000000E+00 1.000000
6 P 3.75000000E-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
H 6-311++G(2d,2p) 6 10 4s2p
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=m06-2x formula=C1H4O1 charge=-2 mult=1
Summary of "ao basis" -> "ao basis" (cartesian)
------------------------------------------------------------------------------
Tag Description Shells Functions and Types
---------------- ------------------------------ ------ ---------------------
C 6-311++G(2d,2p) 11 29 5s4p2d
H 6-311++G(2d,2p) 6 10 4s2p
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 6.000 2.096
2 8.000 1.576
3 1.000 1.172
4 1.000 1.172
5 1.000 1.172
6 1.000 1.172
solvent accessible surface
--------------------------
---------- ATOMIC COORDINATES (A.U.) ------------ VDWR(ANG.) --
1 -1.25307394 0.05090449 -0.03882075 2.096
2 1.42824314 0.09495023 -0.07244464 1.576
3 -2.02275934 0.31309831 1.86012333 1.172
4 -2.02278579 -1.71116672 -0.79367179 1.172
5 -1.89887457 1.60226749 -1.22216149 1.172
6 2.03691822 -1.26922785 0.96819156 1.172
number of segments per atom = 128
number of points per atom = 128
atom ( nspa, nppa )
----------------------
1 ( 101, 0 ) 0
2 ( 58, 0 ) 0
3 ( 30, 0 ) 0
4 ( 30, 0 ) 0
5 ( 31, 0 ) 0
6 ( 59, 0 ) 0
number of -cosmo- surface points = 309
molecular surface = 63.891 angstrom**2
molecular volume = 38.232 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 : 6
No. of electrons : 20
Alpha electrons : 10
Beta electrons : 10
Charge : -2
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: 98
number of shells: 46
Convergence on energy requested: 1.00D-06
Convergence on density requested: 1.00D-05
Convergence on gradient requested: 5.00D-04
XC Information
--------------
M06-2X Method XC Functional
Hartree-Fock (Exact) Exchange 0.540
M06-2X Exchange Functional 1.000
M06-2X Correlation Potential 1.000
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.
--- ---------- --------- --------- ---------
C 0.70 49 11.0 434
O 0.60 49 10.0 434
H 0.35 45 12.0 434
Grid pruning is: on
Number of quadrature shells: 278
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: -114.44617625
Renormalizing density from 18.00 to 20
Non-variational initial energy
------------------------------
Total energy = -122.854494
1-e energy = -260.794472
2-e energy = 97.628302
HOMO = 0.335188
LUMO = 0.350816
Time after variat. SCF: 0.7
Time prior to 1st pass: 0.7
Memory utilization after 1st SCF pass:
Heap Space remaining (MW): 62.25 62254830
Stack Space remaining (MW): 62.26 62258508
convergence iter energy DeltaE RMS-Dens Diis-err time
---------------- ----- ----------------- --------- --------- --------- ------
COSMO gas phase
d= 0,ls=0.0,diis 1 -109.3536360187 -1.50D+02 3.70D+00 2.44D+01 1.6
d= 0,ls=0.0,diis 2 -107.4946249680 1.86D+00 4.27D-02 7.86D+01 2.4
d= 0,ls=0.0,diis 3 -113.3007217779 -5.81D+00 5.61D-02 1.66D+01 3.3
d= 0,ls=0.0,diis 4 -114.9872911982 -1.69D+00 5.94D-01 3.28D+00 4.2
d= 0,ls=0.0,diis 5 -115.4919060987 -5.05D-01 9.14D-01 5.90D-01 5.1
d= 0,ls=0.0,diis 6 -115.5869239539 -9.50D-02 4.75D-01 5.25D-02 6.0
Resetting Diis
d= 0,ls=0.0,diis 7 -115.5960574362 -9.13D-03 9.90D-02 4.52D-03 6.9
d= 0,ls=0.0,diis 8 -115.5364887884 5.96D-02 6.30D-01 1.59D-02 7.9
d= 0,ls=0.0,diis 9 -115.5445614132 -8.07D-03 9.30D-02 8.84D-04 8.8
d= 0,ls=0.0,diis 10 -115.5447830654 -2.22D-04 1.91D-02 4.18D-04 9.8
d= 0,ls=0.0,diis 11 -115.5448930140 -1.10D-04 3.02D-03 6.12D-05 10.7
d= 0,ls=0.0,diis 12 -115.5449047723 -1.18D-05 2.48D-03 8.96D-06 11.6
d= 0,ls=0.0,diis 13 -115.5449075122 -2.74D-06 9.21D-04 6.88D-07 12.5
d= 0,ls=0.0,diis 14 -115.5449078263 -3.14D-07 6.89D-04 9.71D-08 13.4
d= 0,ls=0.0,diis 15 -115.5449078675 -4.12D-08 1.45D-04 3.12D-09 14.4
d= 0,ls=0.0,diis 16 -115.5449078687 -1.21D-09 4.48D-05 9.34D-10 15.3
d= 0,ls=0.0,diis 17 -115.5449078689 -1.98D-10 1.16D-05 6.99D-11 16.3
d= 0,ls=0.0,diis 18 -115.5449078689 -2.29D-11 1.27D-06 2.18D-12 17.2
Memory utilization after 1st SCF pass:
Heap Space remaining (MW): 62.25 62253558
Stack Space remaining (MW): 62.26 62258508
convergence iter energy DeltaE RMS-Dens Diis-err time
---------------- ----- ----------------- --------- --------- --------- ------
COSMO solvation phase
d= 0,ls=0.0,diis 1 -115.8231075260 -2.78D-01 1.19D+00 4.88D-02 18.5
d= 0,ls=0.0,diis 2 -115.8284196366 -5.31D-03 5.01D-02 3.07D-02 19.8
d= 0,ls=0.0,diis 3 -115.8330527563 -4.63D-03 3.30D-02 4.33D-03 21.2
d= 0,ls=0.0,diis 4 -115.8308621779 2.19D-03 8.70D-03 7.20D-04 22.4
d= 0,ls=0.0,diis 5 -115.8302790730 5.83D-04 4.36D-03 3.87D-04 23.7
d= 0,ls=0.0,diis 6 -115.8299787690 3.00D-04 3.79D-03 3.35D-04 25.0
d= 0,ls=0.0,diis 7 -115.8295940279 3.85D-04 5.29D-03 2.83D-04 27.9
d= 0,ls=0.0,diis 8 -115.8287555297 8.38D-04 7.36D-03 2.24D-04 29.2
d= 0,ls=0.0,diis 9 -115.8275706850 1.18D-03 9.87D-03 1.14D-04 30.5
d= 0,ls=0.0,diis 10 -115.8256807905 1.89D-03 2.23D-03 2.96D-05 31.8
d= 0,ls=0.0,diis 11 -115.8253805407 3.00D-04 2.68D-03 1.94D-05 33.2
d= 0,ls=0.0,diis 12 -115.8263526695 -9.72D-04 3.72D-03 4.24D-05 34.5
d= 0,ls=0.0,diis 13 -115.8254116089 9.41D-04 3.79D-04 3.34D-06 35.8
d= 0,ls=0.0,diis 14 -115.8254368413 -2.52D-05 1.98D-04 6.30D-07 37.1
d= 0,ls=0.0,diis 15 -115.8255080515 -7.12D-05 9.85D-06 4.91D-09 38.4
d= 0,ls=0.0,diis 16 -115.8255074784 5.73D-07 2.18D-05 2.22D-09 39.7
d= 0,ls=0.0,diis 17 -115.8255145554 -7.08D-06 4.16D-06 6.09D-10 41.0
d= 0,ls=0.0,diis 18 -115.8255135967 9.59D-07 6.55D-07 2.84D-11 42.3
Total DFT energy = -115.825513596679
One electron energy = -254.187207890167
Coulomb energy = 104.667063184561
Exchange-Corr. energy = -15.778815581438
Nuclear repulsion energy = 40.311674632918
COSMO energy = 9.161772057447
Numeric. integr. density = 20.000005176157
Total iterative time = 41.6s
COSMO solvation results
-----------------------
gas phase energy = -115.544907868936
sol phase energy = -115.825513596679
(electrostatic) solvation energy = 0.280605727743 ( 176.08 kcal/mol)
DFT Final Molecular Orbital Analysis
------------------------------------
Vector 1 Occ=2.000000D+00 E=-1.966620D+01
MO Center= 7.6D-01, 5.0D-02, -3.8D-02, r^2= 1.5D-02
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
30 0.553941 2 O s 31 0.464567 2 O s
Vector 2 Occ=2.000000D+00 E=-1.062326D+01
MO Center= -6.6D-01, 2.7D-02, -2.1D-02, r^2= 2.8D-02
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
1 0.566464 1 C s 2 0.453515 1 C s
10 0.056661 1 C s 6 0.029316 1 C s
Vector 3 Occ=2.000000D+00 E=-1.190462D+00
MO Center= 5.8D-01, -4.5D-02, 3.4D-02, r^2= 5.9D-01
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
35 0.512157 2 O s 39 0.331442 2 O s
31 -0.173384 2 O s 6 0.131948 1 C s
30 -0.112023 2 O s 89 0.082661 6 H s
7 0.067543 1 C px 2 -0.058298 1 C s
10 0.055551 1 C s 90 0.047455 6 H s
Vector 4 Occ=2.000000D+00 E=-8.243595D-01
MO Center= -4.6D-01, 1.9D-02, -1.5D-02, r^2= 1.5D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
6 0.424031 1 C s 10 0.177551 1 C s
39 -0.165232 2 O s 35 -0.152062 2 O s
2 -0.149321 1 C s 36 -0.127316 2 O px
1 -0.097022 1 C s 79 0.091392 5 H s
60 0.089706 3 H s 70 0.089719 4 H s
Vector 5 Occ=2.000000D+00 E=-6.357172D-01
MO Center= 1.6D-01, -1.0D-01, 7.9D-02, r^2= 1.5D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
37 0.201160 2 O py 90 -0.167302 6 H s
38 -0.153317 2 O pz 36 -0.148788 2 O px
41 0.142892 2 O py 7 0.139985 1 C px
33 0.137069 2 O py 39 0.130522 2 O s
89 -0.125672 6 H s 8 0.110776 1 C py
Vector 6 Occ=2.000000D+00 E=-5.659451D-01
MO Center= -3.7D-01, -8.6D-02, 6.6D-02, r^2= 1.5D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
9 0.210094 1 C pz 38 0.170519 2 O pz
8 0.160380 1 C py 42 0.148216 2 O pz
60 0.145943 3 H s 70 -0.145499 4 H s
5 0.140514 1 C pz 13 0.140207 1 C pz
37 0.129991 2 O py 59 0.115781 3 H s
Vector 7 Occ=2.000000D+00 E=-5.524993D-01
MO Center= -2.5D-02, 2.2D-01, -1.7D-01, r^2= 1.6D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
36 0.269702 2 O px 40 0.237915 2 O px
7 -0.188721 1 C px 32 0.180609 2 O px
80 0.162927 5 H s 8 0.135984 1 C py
79 0.130407 5 H s 3 -0.125930 1 C px
9 -0.104216 1 C pz 11 -0.097144 1 C px
Vector 8 Occ=2.000000D+00 E=-4.662577D-01
MO Center= -7.0D-02, 1.3D-01, -9.6D-02, r^2= 1.9D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
37 0.196941 2 O py 39 0.193523 2 O s
80 -0.184923 5 H s 41 0.174674 2 O py
8 -0.161811 1 C py 38 -0.150042 2 O pz
33 0.135791 2 O py 42 -0.133328 2 O pz
90 -0.133691 6 H s 43 0.126691 2 O s
Vector 9 Occ=2.000000D+00 E=-4.076100D-01
MO Center= 2.2D-01, -4.4D-02, 3.4D-02, r^2= 1.6D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
42 0.302767 2 O pz 38 0.293595 2 O pz
41 0.230714 2 O py 37 0.223850 2 O py
34 0.200806 2 O pz 33 0.153091 2 O py
60 -0.145272 3 H s 70 0.145292 4 H s
9 -0.114342 1 C pz 13 -0.108732 1 C pz
Vector 10 Occ=2.000000D+00 E=-1.289816D-01
MO Center= 7.2D-01, -6.5D-01, 4.9D-01, r^2= 6.4D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
91 -0.554725 6 H s 43 0.543969 2 O s
39 0.524406 2 O s 92 -0.449698 6 H s
82 -0.447152 5 H s 15 -0.415175 1 C px
14 0.411417 1 C s 72 -0.264682 4 H s
62 -0.251932 3 H s 11 -0.230492 1 C px
Vector 11 Occ=0.000000D+00 E=-2.123980D-02
MO Center= -1.7D+00, 4.5D-01, -3.4D-01, r^2= 1.0D+01
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
14 2.723452 1 C s 82 -1.606796 5 H s
43 -0.933693 2 O s 62 -0.864804 3 H s
72 -0.859867 4 H s 92 0.455440 6 H s
10 0.337699 1 C s 91 0.273179 6 H s
15 0.236642 1 C px 44 0.223041 2 O px
Vector 12 Occ=0.000000D+00 E=-6.066507D-04
MO Center= -7.9D-01, 3.5D-01, -2.8D-01, r^2= 1.1D+01
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
82 1.785469 5 H s 72 -0.995999 4 H s
14 0.961439 1 C s 62 -0.933071 3 H s
15 0.771728 1 C px 43 -0.734764 2 O s
10 0.695813 1 C s 81 -0.383204 5 H s
92 -0.377387 6 H s 44 0.331419 2 O px
Vector 13 Occ=0.000000D+00 E= 4.909452D-03
MO Center= -9.8D-01, -3.7D-01, 3.2D-01, r^2= 1.2D+01
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
62 2.068048 3 H s 72 -2.009396 4 H s
71 0.307436 4 H s 61 -0.298444 3 H s
46 0.099448 2 O pz 17 -0.088219 1 C pz
9 -0.076407 1 C pz 42 -0.071367 2 O pz
45 0.067103 2 O py 5 -0.060090 1 C pz
Vector 14 Occ=0.000000D+00 E= 3.535394D-02
MO Center= -5.1D-01, 1.3D-01, -1.1D-01, r^2= 1.3D+01
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
82 3.750956 5 H s 62 -2.314571 3 H s
72 -2.277046 4 H s 92 1.936843 6 H s
15 -1.919108 1 C px 14 -1.683845 1 C s
16 -1.450996 1 C py 17 1.132438 1 C pz
43 1.044999 2 O s 91 0.547036 6 H s
Vector 15 Occ=0.000000D+00 E= 4.881700D-02
MO Center= 2.1D-01, -5.0D-01, 3.6D-01, r^2= 1.2D+01
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
82 4.481389 5 H s 16 -2.693847 1 C py
17 2.415787 1 C pz 62 -2.216438 3 H s
92 -1.945856 6 H s 72 -1.548499 4 H s
43 -1.492619 2 O s 81 1.289202 5 H s
15 1.183505 1 C px 14 1.024145 1 C s
Vector 16 Occ=0.000000D+00 E= 5.335985D-02
MO Center= -9.7D-01, 1.4D-01, -9.8D-02, r^2= 1.1D+01
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
72 -5.368318 4 H s 62 5.092962 3 H s
17 -3.272789 1 C pz 16 -2.807611 1 C py
71 -1.216905 4 H s 61 1.162221 3 H s
46 0.338897 2 O pz 45 0.328739 2 O py
82 0.310756 5 H s 13 -0.242714 1 C pz
Vector 17 Occ=0.000000D+00 E= 8.968255D-02
MO Center= -1.6D+00, 2.2D-02, -1.6D-02, r^2= 1.5D+01
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
14 14.566650 1 C s 82 -4.365228 5 H s
62 -3.267223 3 H s 72 -3.256147 4 H s
43 -2.023222 2 O s 15 -1.480637 1 C px
81 -1.440413 5 H s 61 -1.147786 3 H s
71 -1.147007 4 H s 16 0.602760 1 C py
Vector 18 Occ=0.000000D+00 E= 1.191619D-01
MO Center= 6.4D-01, 1.3D-01, -1.0D-01, r^2= 8.0D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
14 4.824330 1 C s 10 4.485623 1 C s
43 -3.064633 2 O s 44 1.850413 2 O px
45 1.509448 2 O py 16 -1.281116 1 C py
61 -1.203956 3 H s 71 -1.181887 4 H s
46 -1.158355 2 O pz 6 -1.081868 1 C s
Vector 19 Occ=0.000000D+00 E= 1.372273D-01
MO Center= 6.9D-01, -7.4D-01, 5.7D-01, r^2= 1.0D+01
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
14 -2.308010 1 C s 91 2.317114 6 H s
10 2.203618 1 C s 92 -2.084011 6 H s
39 -1.794039 2 O s 72 1.279759 4 H s
62 1.270760 3 H s 81 -1.021804 5 H s
44 0.480817 2 O px 16 0.387868 1 C py
Vector 20 Occ=0.000000D+00 E= 1.456650D-01
MO Center= 2.0D-01, 1.1D-02, 1.7D-02, r^2= 8.2D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
61 1.602927 3 H s 71 -1.599513 4 H s
46 1.415256 2 O pz 13 -1.261156 1 C pz
45 1.066557 2 O py 12 -0.940790 1 C py
17 -0.835901 1 C pz 16 -0.697361 1 C py
62 -0.600251 3 H s 72 0.530878 4 H s
Vector 21 Occ=0.000000D+00 E= 1.561624D-01
MO Center= -5.0D-01, 3.3D-01, -2.7D-01, r^2= 1.1D+01
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
82 4.602518 5 H s 91 -3.443493 6 H s
62 -2.748840 3 H s 72 -2.753200 4 H s
14 2.393449 1 C s 16 -1.952278 1 C py
43 1.714451 2 O s 81 -1.629322 5 H s
17 1.508257 1 C pz 44 1.326250 2 O px
Vector 22 Occ=0.000000D+00 E= 1.717857D-01
MO Center= -9.4D-01, -4.6D-01, 3.8D-01, r^2= 8.6D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
62 4.118320 3 H s 72 -4.065504 4 H s
17 -1.975624 1 C pz 61 -1.857330 3 H s
71 1.864175 4 H s 16 -1.496636 1 C py
13 0.970175 1 C pz 46 0.924564 2 O pz
12 0.712617 1 C py 45 0.571327 2 O py
Vector 23 Occ=0.000000D+00 E= 1.737124D-01
MO Center= 1.2D-02, 4.4D-01, -3.6D-01, r^2= 6.0D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
43 4.791738 2 O s 91 -4.098772 6 H s
81 2.868705 5 H s 14 -2.838120 1 C s
10 -1.996887 1 C s 45 -1.931584 2 O py
39 -1.561452 2 O s 46 1.415430 2 O pz
11 1.036677 1 C px 44 0.800301 2 O px
Vector 24 Occ=0.000000D+00 E= 2.016480D-01
MO Center= -3.1D-01, -3.3D-01, 2.5D-01, r^2= 7.7D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
14 10.425755 1 C s 10 3.993575 1 C s
61 -3.977707 3 H s 71 -3.982549 4 H s
91 -3.364337 6 H s 81 -2.064924 5 H s
43 1.998534 2 O s 45 -1.655196 2 O py
11 -1.614996 1 C px 92 -1.460462 6 H s
Vector 25 Occ=0.000000D+00 E= 2.204812D-01
MO Center= 9.6D-02, 8.8D-02, -6.7D-02, r^2= 9.2D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
43 5.450052 2 O s 15 -2.666859 1 C px
44 -2.621882 2 O px 92 2.618254 6 H s
10 -1.920608 1 C s 81 -1.750817 5 H s
39 -1.647066 2 O s 62 -1.558835 3 H s
72 -1.558597 4 H s 91 -1.158346 6 H s
Vector 26 Occ=0.000000D+00 E= 2.796451D-01
MO Center= -9.4D-02, 2.1D-01, -1.6D-01, r^2= 7.5D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
14 15.378830 1 C s 43 -11.599766 2 O s
10 9.545719 1 C s 82 -2.967735 5 H s
81 -2.791450 5 H s 44 2.398844 2 O px
11 2.349961 1 C px 91 2.253824 6 H s
61 -2.176221 3 H s 71 -2.175738 4 H s
Vector 27 Occ=0.000000D+00 E= 3.897095D-01
MO Center= -7.2D-01, 2.6D-01, -2.1D-01, r^2= 4.7D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
17 1.878737 1 C pz 62 -1.675132 3 H s
72 1.663438 4 H s 16 1.402967 1 C py
60 1.377658 3 H s 61 -1.383588 3 H s
71 1.374159 4 H s 70 -1.365873 4 H s
13 -1.219910 1 C pz 12 -0.912241 1 C py
Vector 28 Occ=0.000000D+00 E= 3.930773D-01
MO Center= -6.2D-01, -4.1D-01, 3.2D-01, r^2= 5.3D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
16 2.156272 1 C py 82 -2.019264 5 H s
14 -1.727147 1 C s 81 -1.672973 5 H s
17 -1.617802 1 C pz 80 1.617615 5 H s
10 1.524924 1 C s 12 -1.345169 1 C py
72 1.147981 4 H s 62 1.112015 3 H s
Vector 29 Occ=0.000000D+00 E= 4.916008D-01
MO Center= 2.9D-01, -4.0D-01, 3.0D-01, r^2= 5.6D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
10 16.558936 1 C s 14 5.506731 1 C s
6 -5.093469 1 C s 91 -3.648836 6 H s
43 -3.517877 2 O s 61 -3.108079 3 H s
71 -3.119674 4 H s 27 -2.851923 1 C dyy
29 -2.763429 1 C dzz 44 2.743852 2 O px
Vector 30 Occ=0.000000D+00 E= 5.077025D-01
MO Center= -5.6D-01, 3.8D-01, -2.9D-01, r^2= 5.9D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
10 18.074392 1 C s 43 -6.351735 2 O s
6 -5.647637 1 C s 81 -3.521341 5 H s
91 3.469633 6 H s 24 -3.044701 1 C dxx
29 -3.051248 1 C dzz 27 -2.936864 1 C dyy
71 -1.524875 4 H s 82 1.521801 5 H s
Vector 31 Occ=0.000000D+00 E= 5.227484D-01
MO Center= -9.6D-01, -1.5D-01, 1.1D-01, r^2= 4.4D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
14 5.460386 1 C s 11 4.263923 1 C px
43 -4.181907 2 O s 39 -3.436794 2 O s
91 1.560675 6 H s 44 1.492513 2 O px
72 -1.389960 4 H s 62 -1.373823 3 H s
40 1.038339 2 O px 82 -0.905384 5 H s
Vector 32 Occ=0.000000D+00 E= 5.329283D-01
MO Center= -1.1D+00, -2.0D-01, 1.6D-01, r^2= 4.6D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
62 2.713640 3 H s 72 -2.695380 4 H s
13 2.674298 1 C pz 61 -2.448837 3 H s
71 2.427689 4 H s 12 2.023169 1 C py
17 -1.276361 1 C pz 16 -0.965902 1 C py
60 -0.909677 3 H s 70 0.903108 4 H s
Vector 33 Occ=0.000000D+00 E= 5.545913D-01
MO Center= -3.2D-01, -2.3D-01, 1.7D-01, r^2= 5.6D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
91 -2.949364 6 H s 82 2.889325 5 H s
12 2.520260 1 C py 71 1.920539 4 H s
13 -1.900307 1 C pz 61 1.896820 3 H s
81 -1.464625 5 H s 80 -1.454380 5 H s
72 -1.427579 4 H s 62 -1.404347 3 H s
Vector 34 Occ=0.000000D+00 E= 5.722254D-01
MO Center= -5.6D-01, -2.2D-01, 1.8D-01, r^2= 3.0D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
13 2.180115 1 C pz 12 1.645909 1 C py
61 -1.527019 3 H s 71 1.505553 4 H s
60 -0.921351 3 H s 70 0.919212 4 H s
62 0.695871 3 H s 72 -0.689888 4 H s
77 0.530595 4 H py 68 0.506767 3 H pz
Vector 35 Occ=0.000000D+00 E= 5.798640D-01
MO Center= -4.4D-01, 1.6D-01, -1.2D-01, r^2= 3.8D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
14 5.690790 1 C s 10 4.199945 1 C s
81 -2.968093 5 H s 61 -1.741809 3 H s
71 -1.729995 4 H s 12 1.336011 1 C py
6 -1.280276 1 C s 62 -1.094207 3 H s
72 -1.094059 4 H s 13 -1.010583 1 C pz
Vector 36 Occ=0.000000D+00 E= 6.196032D-01
MO Center= -4.8D-01, 6.9D-02, -5.1D-02, r^2= 4.0D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
10 7.156768 1 C s 14 -4.830555 1 C s
6 -2.614167 1 C s 43 -2.472626 2 O s
11 2.149405 1 C px 39 -2.097154 2 O s
27 -1.637533 1 C dyy 29 -1.606118 1 C dzz
61 1.556632 3 H s 71 1.558480 4 H s
Vector 37 Occ=0.000000D+00 E= 6.724332D-01
MO Center= 7.6D-01, -4.6D-01, 3.5D-01, r^2= 2.1D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
98 0.910911 6 H pz 97 0.691011 6 H py
62 -0.400961 3 H s 72 0.402884 4 H s
60 -0.376126 3 H s 70 0.372777 4 H s
27 -0.353201 1 C dyy 29 0.350797 1 C dzz
42 -0.333638 2 O pz 17 0.325409 1 C pz
Vector 38 Occ=0.000000D+00 E= 7.819695D-01
MO Center= 4.2D-01, -1.5D-01, 1.1D-01, r^2= 3.6D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
10 3.373633 1 C s 39 2.627176 2 O s
43 -2.443352 2 O s 90 -2.104505 6 H s
41 -1.812712 2 O py 6 -1.668983 1 C s
45 1.446197 2 O py 80 1.418078 5 H s
91 1.405810 6 H s 42 1.384710 2 O pz
Vector 39 Occ=0.000000D+00 E= 8.390467D-01
MO Center= -1.0D+00, 5.7D-03, -5.2D-03, r^2= 2.4D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
67 0.776157 3 H py 78 0.722138 4 H pz
88 -0.569143 5 H pz 87 -0.433299 5 H py
77 -0.307193 4 H py 70 0.141788 4 H s
60 -0.136421 3 H s 29 0.107848 1 C dzz
27 -0.104405 1 C dyy 68 -0.103954 3 H pz
Vector 40 Occ=0.000000D+00 E= 9.170016D-01
MO Center= 1.6D-03, 1.8D-02, -1.2D-02, r^2= 3.3D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
39 4.720846 2 O s 90 -3.112115 6 H s
41 -2.113443 2 O py 43 -1.907085 2 O s
42 1.613144 2 O pz 97 -1.236238 6 H py
80 0.986489 5 H s 98 0.943441 6 H pz
28 0.874299 1 C dyz 40 0.775460 2 O px
Vector 41 Occ=0.000000D+00 E= 9.684522D-01
MO Center= 9.0D-01, 6.9D-02, -5.3D-02, r^2= 3.7D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
14 5.390531 1 C s 10 5.044271 1 C s
43 -4.882846 2 O s 40 2.992590 2 O px
11 2.406837 1 C px 81 -1.206057 5 H s
61 -1.171081 3 H s 71 -1.169830 4 H s
24 1.054587 1 C dxx 82 -1.025095 5 H s
Vector 42 Occ=0.000000D+00 E= 9.891076D-01
MO Center= -8.0D-01, -7.9D-03, 8.1D-03, r^2= 2.8D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
13 1.768139 1 C pz 12 1.351989 1 C py
70 0.903135 4 H s 60 -0.895165 3 H s
66 -0.698225 3 H px 76 0.699549 4 H px
88 -0.637953 5 H pz 78 -0.491760 4 H pz
87 -0.488420 5 H py 67 -0.428650 3 H py
Vector 43 Occ=0.000000D+00 E= 1.012687D+00
MO Center= 1.6D-01, 1.5D-01, -1.1D-01, r^2= 3.7D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
39 9.602171 2 O s 43 -5.590438 2 O s
14 3.443061 1 C s 35 -2.737151 2 O s
40 -2.349638 2 O px 91 1.655917 6 H s
11 -1.644390 1 C px 24 -1.358101 1 C dxx
56 -1.345186 2 O dyy 53 -1.325366 2 O dxx
Vector 44 Occ=0.000000D+00 E= 1.049011D+00
MO Center= -1.2D-02, 4.2D-03, -4.1D-03, r^2= 3.2D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
26 1.885469 1 C dxz 25 1.437369 1 C dxy
60 1.375840 3 H s 70 -1.377081 4 H s
42 -1.292350 2 O pz 41 -0.986915 2 O py
27 0.725744 1 C dyy 29 -0.728324 1 C dzz
61 -0.673203 3 H s 71 0.672061 4 H s
Vector 45 Occ=0.000000D+00 E= 1.077250D+00
MO Center= -8.2D-01, 9.3D-02, -7.0D-02, r^2= 3.1D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
11 2.109525 1 C px 12 1.687847 1 C py
39 -1.414812 2 O s 80 -1.342078 5 H s
13 -1.279930 1 C pz 86 -1.277932 5 H px
40 1.249993 2 O px 27 1.045352 1 C dyy
90 -1.046565 6 H s 6 0.991245 1 C s
Vector 46 Occ=0.000000D+00 E= 1.092348D+00
MO Center= 2.8D-01, 3.1D-02, -2.3D-02, r^2= 3.0D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
60 1.305684 3 H s 70 -1.303655 4 H s
42 1.172477 2 O pz 17 1.116730 1 C pz
13 -1.091890 1 C pz 62 -1.097194 3 H s
72 1.094105 4 H s 27 0.951610 1 C dyy
29 -0.937698 1 C dzz 41 0.885618 2 O py
Vector 47 Occ=0.000000D+00 E= 1.117232D+00
MO Center= -3.5D-01, 1.3D-01, -1.0D-01, r^2= 3.3D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
39 3.212387 2 O s 90 -2.393116 6 H s
80 -2.362856 5 H s 41 -2.198782 2 O py
12 2.050146 1 C py 28 -1.959897 1 C dyz
42 1.678077 2 O pz 13 -1.563001 1 C pz
82 1.532490 5 H s 11 -1.383751 1 C px
Vector 48 Occ=0.000000D+00 E= 1.161346D+00
MO Center= -5.4D-01, -2.8D-01, 2.1D-01, r^2= 3.0D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
10 3.139278 1 C s 43 -2.082826 2 O s
14 1.665491 1 C s 40 1.579372 2 O px
12 1.446342 1 C py 81 -1.449274 5 H s
24 1.403446 1 C dxx 39 -1.158463 2 O s
13 -1.109312 1 C pz 27 -1.040553 1 C dyy
Vector 49 Occ=0.000000D+00 E= 1.234595D+00
MO Center= -2.9D-01, -7.2D-02, 5.5D-02, r^2= 3.2D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
10 7.393850 1 C s 14 4.653929 1 C s
43 -4.227838 2 O s 11 3.867060 1 C px
6 -2.719592 1 C s 27 -2.358333 1 C dyy
29 -2.359633 1 C dzz 39 -2.260809 2 O s
44 1.585319 2 O px 60 1.357904 3 H s
Vector 50 Occ=0.000000D+00 E= 1.266632D+00
MO Center= -5.9D-01, 1.2D-01, -9.3D-02, r^2= 2.6D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
26 1.509820 1 C dxz 27 -1.285983 1 C dyy
29 1.278357 1 C dzz 88 1.229033 5 H pz
13 -1.177244 1 C pz 25 1.139093 1 C dxy
87 0.936577 5 H py 12 -0.903167 1 C py
67 0.763247 3 H py 78 0.727017 4 H pz
Vector 51 Occ=0.000000D+00 E= 1.308198D+00
MO Center= -2.3D-01, -7.0D-02, 5.4D-02, r^2= 3.3D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
10 2.734479 1 C s 91 -2.649095 6 H s
28 2.323313 1 C dyz 25 -2.130215 1 C dxy
26 1.622580 1 C dxz 14 1.239344 1 C s
41 1.182040 2 O py 43 1.171077 2 O s
45 -1.169895 2 O py 90 1.159265 6 H s
Vector 52 Occ=0.000000D+00 E= 1.375818D+00
MO Center= -1.5D-01, -2.0D-01, 1.6D-01, r^2= 3.4D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
10 8.542015 1 C s 6 -3.497885 1 C s
39 3.220521 2 O s 29 -2.768080 1 C dzz
27 -2.637550 1 C dyy 80 2.498691 5 H s
24 -2.179521 1 C dxx 12 -1.898737 1 C py
90 -1.859722 6 H s 43 -1.717096 2 O s
Vector 53 Occ=0.000000D+00 E= 1.410513D+00
MO Center= -8.9D-01, -2.1D-01, 1.6D-01, r^2= 3.0D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
60 3.583505 3 H s 70 -3.578882 4 H s
13 -3.114755 1 C pz 12 -2.389249 1 C py
61 2.108279 3 H s 71 -2.117895 4 H s
68 -2.072154 3 H pz 26 1.969309 1 C dxz
77 -1.960308 4 H py 9 -1.792896 1 C pz
Vector 54 Occ=0.000000D+00 E= 1.427461D+00
MO Center= -4.3D-01, 2.6D-01, -2.0D-01, r^2= 3.3D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
10 7.362414 1 C s 80 -3.152836 5 H s
28 -3.105483 1 C dyz 6 -2.859981 1 C s
29 -2.552613 1 C dzz 60 2.487947 3 H s
70 2.483927 4 H s 39 2.370909 2 O s
81 -2.216148 5 H s 12 2.195219 1 C py
Vector 55 Occ=0.000000D+00 E= 1.459828D+00
MO Center= -3.1D-01, -7.2D-02, 5.5D-02, r^2= 3.0D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
10 15.559640 1 C s 6 -8.794567 1 C s
27 -6.421485 1 C dyy 29 -6.241646 1 C dzz
24 -5.701040 1 C dxx 43 -3.935967 2 O s
80 3.206084 5 H s 60 2.861609 3 H s
70 2.871474 4 H s 91 1.545547 6 H s
Vector 56 Occ=0.000000D+00 E= 1.513112D+00
MO Center= -1.0D+00, -2.7D-02, 2.1D-02, r^2= 2.9D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
10 6.580275 1 C s 6 2.458543 1 C s
60 -2.336509 3 H s 70 -2.334041 4 H s
61 -2.181267 3 H s 71 -2.179227 4 H s
11 -2.148654 1 C px 14 2.116067 1 C s
81 -2.109248 5 H s 80 -1.877955 5 H s
Vector 57 Occ=0.000000D+00 E= 1.815505D+00
MO Center= 6.5D-01, -3.7D-02, 2.8D-02, r^2= 1.4D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
60 -0.993664 3 H s 70 0.995373 4 H s
56 0.980592 2 O dyy 58 -0.979902 2 O dzz
27 -0.734829 1 C dyy 29 0.729773 1 C dzz
13 0.633203 1 C pz 98 0.611648 6 H pz
57 0.534624 2 O dyz 12 0.481226 1 C py
Vector 58 Occ=0.000000D+00 E= 1.953757D+00
MO Center= 4.0D-01, -2.7D-02, 2.0D-02, r^2= 1.8D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
25 2.139120 1 C dxy 39 2.027149 2 O s
26 -1.636952 1 C dxz 90 -1.642672 6 H s
41 -1.528284 2 O py 54 1.392101 2 O dxy
57 -1.287643 2 O dyz 10 1.186678 1 C s
42 1.169015 2 O pz 55 -1.065819 2 O dxz
Vector 59 Occ=0.000000D+00 E= 1.978560D+00
MO Center= 2.8D-01, 6.4D-02, -4.8D-02, r^2= 1.8D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
26 2.430883 1 C dxz 25 1.859933 1 C dxy
55 1.728069 2 O dxz 54 1.321445 2 O dxy
42 -0.873457 2 O pz 41 -0.670615 2 O py
60 0.573568 3 H s 70 -0.573400 4 H s
66 -0.505081 3 H px 76 0.505689 4 H px
Vector 60 Occ=0.000000D+00 E= 2.157875D+00
MO Center= 4.3D-01, -6.8D-02, 5.2D-02, r^2= 1.9D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
39 4.680651 2 O s 40 -2.701377 2 O px
11 -1.712681 1 C px 6 -1.699568 1 C s
24 -1.616288 1 C dxx 90 1.369757 6 H s
10 -1.335049 1 C s 58 -1.306980 2 O dzz
14 -1.298465 1 C s 56 -1.251454 2 O dyy
Vector 61 Occ=0.000000D+00 E= 2.219389D+00
MO Center= 6.4D-01, -3.8D-02, 2.9D-02, r^2= 1.8D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
39 7.401002 2 O s 90 -7.102141 6 H s
41 -2.955402 2 O py 42 2.255208 2 O pz
57 -2.172484 2 O dyz 97 -2.180415 6 H py
98 1.662453 6 H pz 6 -1.635342 1 C s
43 -1.535136 2 O s 10 1.446352 1 C s
Vector 62 Occ=0.000000D+00 E= 2.497040D+00
MO Center= -9.1D-01, -2.4D-01, 1.8D-01, r^2= 1.8D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
60 2.555420 3 H s 70 -2.558228 4 H s
13 -1.143165 1 C pz 59 -1.104621 3 H s
69 1.105178 4 H s 12 -0.871819 1 C py
68 -0.869588 3 H pz 77 -0.829139 4 H py
9 -0.698468 1 C pz 17 0.600438 1 C pz
Vector 63 Occ=0.000000D+00 E= 2.536276D+00
MO Center= -4.6D-03, 8.1D-02, -6.2D-02, r^2= 2.6D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
80 2.593452 5 H s 39 1.508741 2 O s
40 1.261322 2 O px 10 1.150478 1 C s
14 1.143323 1 C s 90 -1.109928 6 H s
53 -1.080160 2 O dxx 12 -1.016182 1 C py
41 -1.003647 2 O py 57 -0.989960 2 O dyz
Vector 64 Occ=0.000000D+00 E= 2.696910D+00
MO Center= -7.3D-02, 1.6D-01, -1.2D-01, r^2= 2.4D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
80 3.341964 5 H s 90 -2.264881 6 H s
10 -1.735461 1 C s 43 1.568960 2 O s
14 -1.536280 1 C s 6 -1.454032 1 C s
53 1.166984 2 O dxx 24 -1.130202 1 C dxx
79 -1.134427 5 H s 12 -1.061976 1 C py
Vector 65 Occ=0.000000D+00 E= 2.893059D+00
MO Center= -8.1D-01, -2.1D-01, 1.6D-01, r^2= 2.1D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
60 -4.699695 3 H s 70 -4.698031 4 H s
6 4.545350 1 C s 14 -3.956104 1 C s
39 -3.325669 2 O s 80 -3.054135 5 H s
24 2.517588 1 C dxx 29 2.443212 1 C dzz
27 2.427210 1 C dyy 43 1.801153 2 O s
Vector 66 Occ=0.000000D+00 E= 3.060967D+00
MO Center= 2.4D-01, 1.1D-01, -8.4D-02, r^2= 2.0D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
39 5.131770 2 O s 43 -3.805463 2 O s
80 2.726004 5 H s 14 2.412255 1 C s
56 -1.932161 2 O dyy 58 -1.820189 2 O dzz
10 1.623053 1 C s 6 -1.591299 1 C s
53 -1.477104 2 O dxx 91 1.418172 6 H s
Vector 67 Occ=0.000000D+00 E= 3.128137D+00
MO Center= -7.8D-01, -1.2D-01, 9.0D-02, r^2= 1.4D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
60 2.018282 3 H s 70 -2.018342 4 H s
13 -1.104488 1 C pz 26 0.897480 1 C dxz
12 -0.842165 1 C py 27 0.731732 1 C dyy
29 -0.730996 1 C dzz 9 -0.714779 1 C pz
25 0.684759 1 C dxy 20 -0.671446 1 C dxz
Vector 68 Occ=0.000000D+00 E= 3.181295D+00
MO Center= -4.6D-01, 9.3D-02, -7.1D-02, r^2= 1.7D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
39 2.564393 2 O s 10 1.500209 1 C s
43 -1.470133 2 O s 28 -1.382935 1 C dyz
90 -1.200978 6 H s 80 -1.127490 5 H s
14 1.032114 1 C s 60 0.992935 3 H s
70 0.991652 4 H s 6 -0.884450 1 C s
Vector 69 Occ=0.000000D+00 E= 3.255332D+00
MO Center= -7.0D-01, 1.2D-03, -8.9D-04, r^2= 1.0D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
26 1.295918 1 C dxz 20 -1.095550 1 C dxz
25 0.987947 1 C dxy 19 -0.835295 1 C dxy
27 -0.643974 1 C dyy 29 0.644647 1 C dzz
21 0.502235 1 C dyy 23 -0.502187 1 C dzz
28 -0.352706 1 C dyz 42 -0.329096 2 O pz
Vector 70 Occ=0.000000D+00 E= 3.337197D+00
MO Center= -6.2D-01, 3.6D-02, -2.8D-02, r^2= 1.2D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
39 2.312597 2 O s 28 -1.653453 1 C dyz
25 1.262893 1 C dxy 90 -1.211464 6 H s
22 1.063640 1 C dyz 19 -1.027278 1 C dxy
26 -0.962958 1 C dxz 80 -0.948202 5 H s
41 -0.830987 2 O py 20 0.783297 1 C dxz
Vector 71 Occ=0.000000D+00 E= 3.399787D+00
MO Center= -5.8D-01, 4.0D-03, -3.1D-03, r^2= 1.4D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
39 5.906613 2 O s 10 -3.100520 1 C s
11 -2.462243 1 C px 6 2.293989 1 C s
7 -2.123868 1 C px 29 1.891286 1 C dzz
60 -1.872369 3 H s 70 -1.871846 4 H s
27 1.846231 1 C dyy 80 -1.827949 5 H s
Vector 72 Occ=0.000000D+00 E= 3.553434D+00
MO Center= -7.1D-01, -3.4D-02, 2.5D-02, r^2= 1.2D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
70 -3.188387 4 H s 60 3.152708 3 H s
9 -2.748556 1 C pz 8 -2.132554 1 C py
13 -1.929048 1 C pz 12 -1.493631 1 C py
68 -1.432844 3 H pz 77 -1.400318 4 H py
26 1.292331 1 C dxz 5 1.102288 1 C pz
Vector 73 Occ=0.000000D+00 E= 3.556000D+00
MO Center= -5.7D-01, 5.4D-03, -3.0D-03, r^2= 1.4D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
80 2.964314 5 H s 8 -2.546179 1 C py
9 1.981382 1 C pz 28 1.986332 1 C dyz
60 -1.969498 3 H s 70 -1.911938 4 H s
12 -1.580919 1 C py 13 1.233685 1 C pz
25 1.238332 1 C dxy 87 -1.097251 5 H py
Vector 74 Occ=0.000000D+00 E= 3.616935D+00
MO Center= -3.5D-01, 4.0D-02, -3.0D-02, r^2= 1.7D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
7 2.485286 1 C px 39 -2.202504 2 O s
40 1.723424 2 O px 80 1.692940 5 H s
11 1.150968 1 C px 14 -1.007855 1 C s
53 -0.969718 2 O dxx 3 -0.949748 1 C px
90 0.831320 6 H s 87 -0.820308 5 H py
Vector 75 Occ=0.000000D+00 E= 3.753542D+00
MO Center= -8.7D-01, 4.5D-02, -3.5D-02, r^2= 1.9D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
64 0.661511 3 H py 75 0.613155 4 H pz
85 -0.603980 5 H pz 67 -0.502150 3 H py
78 -0.476702 4 H pz 84 -0.460829 5 H py
88 0.410121 5 H pz 87 0.313045 5 H py
95 -0.283993 6 H pz 74 -0.267549 4 H py
Vector 76 Occ=0.000000D+00 E= 3.789639D+00
MO Center= 6.5D-01, -5.5D-01, 4.2D-01, r^2= 1.5D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
95 0.895181 6 H pz 94 0.682590 6 H py
60 -0.536303 3 H s 70 0.537682 4 H s
98 -0.507702 6 H pz 27 -0.442480 1 C dyy
29 0.442935 1 C dzz 13 0.424868 1 C pz
97 -0.387480 6 H py 62 0.368128 3 H s
Vector 77 Occ=0.000000D+00 E= 3.878686D+00
MO Center= -4.3D-01, 1.2D-01, -9.0D-02, r^2= 2.3D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
12 0.962666 1 C py 86 -0.815743 5 H px
25 0.810359 1 C dxy 83 0.778812 5 H px
13 -0.734477 1 C pz 43 -0.655975 2 O s
26 -0.620731 1 C dxz 28 -0.622967 1 C dyz
93 0.561813 6 H px 80 -0.549877 5 H s
Vector 78 Occ=0.000000D+00 E= 3.894856D+00
MO Center= -8.8D-01, -3.1D-01, 2.4D-01, r^2= 1.5D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
63 0.734935 3 H px 73 -0.736207 4 H px
26 0.706050 1 C dxz 9 -0.633235 1 C pz
60 0.588799 3 H s 70 -0.587551 4 H s
25 0.541753 1 C dxy 68 -0.507211 3 H pz
8 -0.483121 1 C py 20 -0.473209 1 C dxz
Vector 79 Occ=0.000000D+00 E= 4.034021D+00
MO Center= -1.6D-01, -2.1D-01, 1.6D-01, r^2= 2.2D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
80 1.334079 5 H s 28 1.237706 1 C dyz
39 -1.175354 2 O s 8 -1.011001 1 C py
10 0.853129 1 C s 93 -0.804627 6 H px
9 0.774011 1 C pz 11 0.645235 1 C px
90 0.620902 6 H s 83 0.515350 5 H px
Vector 80 Occ=0.000000D+00 E= 4.044681D+00
MO Center= -9.4D-01, 3.4D-01, -2.6D-01, r^2= 1.3D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
85 0.744833 5 H pz 88 -0.711934 5 H pz
84 0.569308 5 H py 13 0.556971 1 C pz
87 -0.546665 5 H py 29 -0.540190 1 C dzz
27 0.537306 1 C dyy 20 0.477215 1 C dxz
9 -0.470471 1 C pz 78 -0.470136 4 H pz
Vector 81 Occ=0.000000D+00 E= 4.057037D+00
MO Center= -4.7D-01, -3.1D-01, 2.4D-01, r^2= 2.0D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
12 1.047193 1 C py 13 -0.794532 1 C pz
80 -0.748872 5 H s 75 -0.638208 4 H pz
64 0.633282 3 H py 93 0.623725 6 H px
67 -0.614841 3 H py 78 0.606202 4 H pz
19 0.522422 1 C dxy 43 -0.433369 2 O s
Vector 82 Occ=0.000000D+00 E= 4.085962D+00
MO Center= -8.4D-01, -1.8D-01, 1.4D-01, r^2= 1.8D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
11 1.456056 1 C px 10 1.363794 1 C s
14 0.829879 1 C s 28 -0.783996 1 C dyz
63 0.689678 3 H px 73 0.689764 4 H px
43 -0.647629 2 O s 7 -0.638614 1 C px
66 -0.636581 3 H px 76 -0.636298 4 H px
Vector 83 Occ=0.000000D+00 E= 4.212766D+00
MO Center= 6.9D-01, -3.0D-01, 2.3D-01, r^2= 1.5D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
91 1.550735 6 H s 39 -1.270048 2 O s
94 -0.892163 6 H py 57 -0.884667 2 O dyz
6 0.803486 1 C s 90 -0.796248 6 H s
60 -0.718072 3 H s 70 -0.718479 4 H s
95 0.680181 6 H pz 28 0.589908 1 C dyz
Vector 84 Occ=0.000000D+00 E= 4.312344D+00
MO Center= -6.9D-01, 4.1D-02, -3.1D-02, r^2= 1.8D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
14 1.777887 1 C s 40 1.068148 2 O px
39 -1.044272 2 O s 6 1.027262 1 C s
81 -0.995111 5 H s 29 0.912986 1 C dzz
27 0.897279 1 C dyy 61 -0.804006 3 H s
71 -0.803807 4 H s 24 0.729483 1 C dxx
Vector 85 Occ=0.000000D+00 E= 4.925473D+00
MO Center= -9.0D-01, -2.1D-01, 1.6D-01, r^2= 1.1D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
9 1.156224 1 C pz 8 0.882681 1 C py
60 -0.844949 3 H s 70 0.845414 4 H s
65 0.828376 3 H pz 20 -0.791572 1 C dxz
74 0.771085 4 H py 19 -0.604263 1 C dxy
21 -0.592377 1 C dyy 23 0.592430 1 C dzz
Vector 86 Occ=0.000000D+00 E= 4.968069D+00
MO Center= -8.4D-01, 2.7D-01, -2.0D-01, r^2= 1.1D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
8 1.296421 1 C py 80 -1.222685 5 H s
22 -1.204612 1 C dyz 9 -0.989610 1 C pz
84 0.782816 5 H py 19 -0.723165 1 C dxy
60 0.623567 3 H s 70 0.622801 4 H s
85 -0.597124 5 H pz 20 0.552085 1 C dxz
Vector 87 Occ=0.000000D+00 E= 5.107767D+00
MO Center= 7.6D-01, 4.6D-02, -3.5D-02, r^2= 5.8D-01
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
38 1.234798 2 O pz 34 -1.012645 2 O pz
37 0.941997 2 O py 42 -0.826450 2 O pz
33 -0.772518 2 O py 41 -0.630439 2 O py
62 0.388644 3 H s 72 -0.388640 4 H s
17 -0.341558 1 C pz 46 0.338649 2 O pz
Vector 88 Occ=0.000000D+00 E= 5.550964D+00
MO Center= 5.0D-01, 4.3D-03, -3.3D-03, r^2= 7.7D-01
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
36 1.266335 2 O px 10 -1.247365 1 C s
7 1.135612 1 C px 32 -0.955093 2 O px
37 0.850501 2 O py 90 0.678737 6 H s
38 -0.648834 2 O pz 53 -0.623323 2 O dxx
24 0.609739 1 C dxx 33 -0.581240 2 O py
Vector 89 Occ=0.000000D+00 E= 6.007660D+00
MO Center= 7.2D-01, -8.3D-02, 6.3D-02, r^2= 6.7D-01
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
90 1.614686 6 H s 37 1.311926 2 O py
36 -1.097536 2 O px 57 1.084743 2 O dyz
38 -1.000780 2 O pz 33 -0.788336 2 O py
32 0.717077 2 O px 54 0.671143 2 O dxy
56 -0.662317 2 O dyy 94 0.660952 6 H py
Vector 90 Occ=0.000000D+00 E= 6.875482D+00
MO Center= 7.5D-01, 5.0D-02, -3.8D-02, r^2= 3.3D-01
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
50 0.943058 2 O dyy 52 -0.943098 2 O dzz
56 -0.563572 2 O dyy 58 0.563735 2 O dzz
51 0.516389 2 O dyz 57 -0.308656 2 O dyz
49 -0.301895 2 O dxz 60 0.274382 3 H s
70 -0.274363 4 H s 27 0.241845 1 C dyy
Vector 91 Occ=0.000000D+00 E= 6.955973D+00
MO Center= 7.4D-01, 5.1D-02, -3.9D-02, r^2= 3.8D-01
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
49 1.566249 2 O dxz 48 1.195071 2 O dxy
55 -1.028638 2 O dxz 54 -0.784890 2 O dxy
26 -0.494018 1 C dxz 25 -0.377006 1 C dxy
13 -0.369284 1 C pz 42 0.326928 2 O pz
12 -0.281705 1 C py 60 0.259583 3 H s
Vector 92 Occ=0.000000D+00 E= 7.011111D+00
MO Center= 7.4D-01, 4.4D-02, -3.3D-02, r^2= 3.8D-01
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
39 1.663408 2 O s 51 1.294457 2 O dyz
48 -1.188439 2 O dxy 90 -0.996105 6 H s
49 0.906846 2 O dxz 54 0.856854 2 O dxy
57 -0.858530 2 O dyz 41 -0.763293 2 O py
55 -0.653814 2 O dxz 42 0.582441 2 O pz
Vector 93 Occ=0.000000D+00 E= 7.181702D+00
MO Center= 7.5D-01, 3.9D-02, -2.9D-02, r^2= 4.4D-01
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
39 3.103333 2 O s 6 -1.416378 1 C s
40 -0.988827 2 O px 24 -0.938047 1 C dxx
47 -0.911689 2 O dxx 51 0.857993 2 O dyz
90 -0.845645 6 H s 48 0.792982 2 O dxy
58 -0.736468 2 O dzz 7 -0.679530 1 C px
Vector 94 Occ=0.000000D+00 E= 7.406515D+00
MO Center= 7.7D-01, 5.1D-02, -3.9D-02, r^2= 4.5D-01
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
90 1.822343 6 H s 40 -1.270811 2 O px
51 -1.196147 2 O dyz 57 1.100826 2 O dyz
41 0.938317 2 O py 6 -0.911592 1 C s
47 -0.783463 2 O dxx 53 0.787033 2 O dxx
48 -0.762006 2 O dxy 42 -0.715793 2 O pz
Vector 95 Occ=0.000000D+00 E= 8.749744D+00
MO Center= -6.7D-01, 2.8D-02, -2.2D-02, r^2= 6.5D-01
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
10 8.368345 1 C s 6 6.116115 1 C s
18 -3.220292 1 C dxx 21 -3.228194 1 C dyy
23 -3.228869 1 C dzz 27 -2.868449 1 C dyy
29 -2.871985 1 C dzz 24 -2.813064 1 C dxx
2 -1.851713 1 C s 43 -1.190726 2 O s
Vector 96 Occ=0.000000D+00 E= 1.748906D+01
MO Center= 7.6D-01, 5.9D-02, -4.5D-02, r^2= 5.7D-01
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
35 7.996799 2 O s 39 5.157763 2 O s
47 -3.316016 2 O dxx 50 -3.320021 2 O dyy
52 -3.326577 2 O dzz 53 -2.608120 2 O dxx
56 -2.557701 2 O dyy 58 -2.559550 2 O dzz
43 -2.249969 2 O s 31 -2.018962 2 O s
Vector 97 Occ=0.000000D+00 E= 3.491479D+01
MO Center= -6.7D-01, 2.9D-02, -2.2D-02, r^2= 5.4D-01
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
10 9.676667 1 C s 6 5.315742 1 C s
2 -4.502556 1 C s 27 -2.979306 1 C dyy
29 -2.976735 1 C dzz 24 -2.907630 1 C dxx
21 -2.736111 1 C dyy 23 -2.737568 1 C dzz
18 -2.715247 1 C dxx 1 2.542649 1 C s
Vector 98 Occ=0.000000D+00 E= 6.632875D+01
MO Center= 7.6D-01, 5.8D-02, -4.4D-02, r^2= 4.3D-01
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
35 5.420846 2 O s 39 4.878346 2 O s
31 -4.283820 2 O s 30 2.704502 2 O s
43 -2.330822 2 O s 52 -2.286775 2 O dzz
47 -2.274648 2 O dxx 50 -2.282461 2 O dyy
53 -2.282048 2 O dxx 56 -2.220867 2 O dyy
Final MO vectors
----------------
global array: alpha evecs[1:98,1:98], handle: -995
1 2 3 4 5 6
----------- ----------- ----------- ----------- ----------- -----------
1 0.00000 0.56646 -0.03921 -0.09702 0.01499 -0.00001
2 -0.00002 0.45351 -0.05830 -0.14932 0.02366 -0.00002
3 0.00009 0.00135 0.04489 -0.02832 0.09606 -0.00021
4 -0.00001 0.00001 -0.00074 0.00691 0.07109 0.10735
5 0.00001 -0.00001 0.00056 -0.00529 -0.05411 0.14051
6 -0.00044 0.02932 0.13195 0.42403 -0.08536 0.00068
7 0.00051 -0.00103 0.06754 -0.02778 0.13999 -0.00037
8 0.00004 0.00005 -0.00027 0.01349 0.11078 0.16038
9 -0.00003 -0.00004 0.00018 -0.01030 -0.08439 0.21009
10 0.00113 0.05666 0.05555 0.17755 -0.03683 -0.00330
11 0.00016 0.00003 0.01672 -0.01744 0.07591 -0.00069
12 -0.00001 0.00027 0.00345 0.00856 0.06402 0.10721
13 0.00001 -0.00021 -0.00279 -0.00677 -0.04855 0.14021
14 0.00649 0.00112 0.01767 -0.00605 0.01325 -0.00267
15 0.00112 0.00109 0.00283 0.00375 0.00507 -0.00013
16 0.00025 -0.00011 -0.00341 -0.00045 0.00087 0.00457
17 -0.00019 0.00008 0.00265 0.00041 -0.00102 0.00511
18 0.00038 -0.01218 0.01432 0.00626 0.00935 -0.00002
19 -0.00001 -0.00001 -0.00035 0.00219 0.00622 0.00042
20 0.00001 0.00001 0.00026 -0.00170 -0.00475 0.00060
21 -0.00004 -0.01250 -0.00094 0.01007 -0.00533 -0.00705
22 -0.00001 -0.00004 -0.00010 -0.00044 -0.00679 -0.00386
23 -0.00005 -0.01251 -0.00096 0.00994 -0.00719 0.00710
24 0.00020 -0.01644 0.00756 0.02971 -0.00276 0.00034
25 0.00018 0.00019 -0.00208 0.00185 0.01419 0.00362
26 -0.00014 -0.00015 0.00158 -0.00120 -0.01081 0.00421
27 -0.00029 -0.01593 -0.01001 0.02824 -0.01844 -0.01085
28 -0.00003 0.00010 -0.00271 -0.00797 -0.01818 -0.00648
29 -0.00030 -0.01590 -0.01078 0.02623 -0.02346 0.01146
30 0.55394 -0.00003 -0.11202 0.03335 -0.01960 -0.00001
31 0.46457 -0.00011 -0.17338 0.05211 -0.03093 -0.00002
32 -0.00100 -0.00018 -0.02425 -0.08635 -0.09851 0.00027
33 -0.00057 0.00000 -0.02388 0.03358 0.13707 0.08739
34 0.00043 -0.00000 0.01822 -0.02562 -0.10449 0.11465
35 0.01849 0.00081 0.51216 -0.15206 0.09260 -0.00015
36 0.00058 0.00006 -0.04501 -0.12732 -0.14879 0.00047
37 0.00023 0.00002 -0.04067 0.05126 0.20116 0.12999
38 -0.00017 -0.00002 0.03101 -0.03911 -0.15332 0.17052
39 0.01850 -0.00132 0.33144 -0.16523 0.13052 0.00102
40 -0.00036 0.00093 -0.02137 -0.07532 -0.10772 0.00005
41 0.00027 0.00005 -0.01989 0.02756 0.14289 0.11245
42 -0.00020 -0.00004 0.01529 -0.02109 -0.10924 0.14822
43 -0.00922 -0.00772 -0.01107 -0.00435 0.02986 0.00203
44 0.00105 0.00238 0.00767 -0.00295 0.00969 -0.00053
45 0.00039 0.00027 0.00465 -0.00271 0.00900 0.01551
46 -0.00029 -0.00020 -0.00354 0.00212 -0.00675 0.02067
47 -0.00547 0.00005 0.01350 0.00115 0.00742 -0.00001
48 -0.00013 0.00002 -0.00213 0.00268 0.00136 -0.00346
49 0.00010 -0.00001 0.00162 -0.00204 -0.00103 -0.00450
50 -0.00562 -0.00010 0.01035 -0.00635 -0.00227 -0.00124
51 -0.00019 0.00003 -0.00538 0.00428 0.00817 -0.00068
52 -0.00567 -0.00009 0.00887 -0.00517 -0.00001 0.00125
53 -0.00844 -0.00112 0.03228 0.00453 0.01802 -0.00012
54 0.00018 -0.00011 -0.00100 0.00519 -0.00998 -0.01524
55 -0.00014 0.00008 0.00077 -0.00395 0.00755 -0.01998
56 -0.00807 0.00044 0.02058 -0.00678 -0.00432 -0.00596
57 0.00025 -0.00015 -0.01069 0.00644 0.01286 -0.00332
58 -0.00800 0.00039 0.01771 -0.00507 -0.00092 0.00582
59 0.00000 0.00007 0.01406 0.08365 -0.07313 0.11578
60 0.00032 -0.00164 0.02484 0.08971 -0.07624 0.14594
61 -0.00044 -0.00501 0.00023 0.02365 -0.02792 0.05837
62 -0.00063 0.00098 -0.00421 0.00189 -0.00184 0.00575
63 -0.00003 -0.00014 0.00101 0.00247 -0.00113 0.00400
64 -0.00001 0.00005 -0.00016 -0.00083 0.00203 0.00091
65 -0.00002 0.00035 -0.00137 -0.00750 0.00504 -0.00689
66 0.00002 -0.00048 0.00237 0.00190 0.00442 0.00163
67 0.00003 0.00014 -0.00103 0.00009 0.00495 0.00372
68 0.00000 0.00136 -0.00520 -0.00549 -0.00208 -0.00056
69 0.00000 0.00007 0.01406 0.08365 -0.07325 -0.11571
70 0.00032 -0.00164 0.02474 0.08972 -0.07642 -0.14550
71 -0.00044 -0.00501 0.00019 0.02365 -0.02835 -0.05694
72 -0.00063 0.00098 -0.00411 0.00201 -0.00236 -0.00460
73 -0.00003 -0.00014 0.00101 0.00247 -0.00113 -0.00402
74 0.00002 -0.00032 0.00128 0.00702 -0.00434 -0.00689
75 0.00001 -0.00014 0.00050 0.00276 -0.00325 -0.00092
76 0.00002 -0.00048 0.00236 0.00199 0.00434 -0.00142
77 0.00001 -0.00127 0.00473 0.00527 0.00333 -0.00135
78 -0.00003 -0.00049 0.00243 0.00171 -0.00465 0.00289
79 -0.00001 0.00011 0.01492 0.09139 0.02223 0.00016
80 0.00036 -0.00180 0.01920 0.08642 0.02890 0.00041
81 -0.00066 -0.00497 -0.00108 0.02448 0.00726 0.00041
82 -0.00124 0.00081 0.00175 0.00321 0.00202 -0.00011
83 -0.00005 -0.00012 0.00096 0.00220 0.00239 -0.00000
84 -0.00000 0.00028 -0.00108 -0.00611 0.00007 0.00210
85 0.00000 -0.00022 0.00082 0.00465 -0.00006 0.00279
86 -0.00011 -0.00042 0.00130 -0.00145 0.00093 0.00000
87 -0.00001 0.00112 -0.00327 -0.00253 0.00042 0.00527
88 0.00001 -0.00085 0.00252 0.00208 -0.00032 0.00699
89 0.00035 -0.00023 0.08266 -0.07005 -0.12567 0.00012
90 0.00028 0.00014 0.04746 -0.06755 -0.16730 -0.00041
91 0.00171 0.00112 0.00870 -0.02016 -0.07872 -0.00032
92 -0.00027 -0.00097 -0.00229 -0.00300 -0.00909 0.00034
93 0.00008 -0.00002 -0.00461 0.00001 0.00199 0.00000
94 -0.00013 -0.00008 0.00882 -0.00698 -0.00904 0.00350
95 0.00010 0.00006 -0.00672 0.00532 0.00686 0.00458
96 -0.00030 -0.00019 -0.00148 -0.00065 0.00522 0.00014
97 0.00062 0.00030 0.00021 -0.00317 -0.00739 0.00579
98 -0.00047 -0.00023 -0.00031 0.00253 0.00613 0.00764
7 8 9 10 11 12
----------- ----------- ----------- ----------- ----------- -----------
1 0.00099 0.00433 0.00000 -0.01376 -0.02851 -0.00676
2 0.00123 0.00689 0.00001 -0.02175 -0.04572 -0.01175
3 -0.12593 -0.04653 0.00001 -0.05320 -0.00873 0.00975
4 0.09385 -0.11392 -0.06274 -0.00685 0.01221 -0.05318
5 -0.07189 0.08688 -0.08234 0.00497 -0.00923 0.03925
6 -0.01135 -0.01836 -0.00059 0.08593 0.14347 -0.13378
7 -0.18872 -0.07452 0.00004 -0.09384 -0.01602 0.01278
8 0.13598 -0.16181 -0.08702 -0.00733 0.01586 -0.06209
9 -0.10422 0.12356 -0.11434 0.00515 -0.01208 0.04533
10 0.07688 -0.00423 0.00060 0.16626 0.33770 0.69581
11 -0.09714 -0.05162 -0.00020 -0.23049 0.08229 0.13747
12 0.09660 -0.12565 -0.08297 0.01405 -0.01917 0.02176
13 -0.07410 0.09617 -0.10873 -0.01138 0.01457 -0.02077
14 -0.00123 -0.02346 -0.00042 0.41142 2.72345 0.96144
15 -0.00355 -0.00719 0.00015 -0.41518 0.23664 0.77173
16 0.00738 -0.00297 -0.00854 0.13240 0.04627 -0.00810
17 -0.00578 0.00224 -0.01012 -0.10672 -0.03455 -0.00348
18 -0.01425 -0.00354 0.00001 0.00808 -0.00197 -0.00549
19 -0.00122 0.01699 0.01773 -0.00253 0.00142 -0.00119
20 0.00092 -0.01297 0.02324 0.00193 -0.00106 0.00088
21 0.00770 -0.00121 0.00712 -0.00189 0.00493 0.00052
22 -0.01084 0.01709 0.00388 0.00158 -0.00151 0.00394
23 0.00470 0.00347 -0.00714 -0.00145 0.00453 0.00159
24 -0.01915 -0.00603 -0.00041 0.01166 0.01106 -0.09856
25 0.00206 0.02919 0.03492 -0.01677 0.01036 -0.03713
26 -0.00143 -0.02222 0.04605 0.01277 -0.00808 0.02838
27 0.00603 0.00137 0.00500 0.01631 0.01472 -0.08165
28 -0.00747 0.01671 0.00321 -0.00560 0.00846 -0.04636
29 0.00408 0.00620 -0.00557 0.01464 0.01656 -0.09448
30 -0.01495 -0.02391 0.00000 -0.02838 0.01341 0.01016
31 -0.02335 -0.03778 0.00000 -0.04577 0.02004 0.01540
32 0.18061 0.07987 -0.00000 0.01566 0.01561 0.01199
33 0.05061 0.13579 0.15309 -0.04284 0.02535 -0.02584
34 -0.03888 -0.10347 0.20081 0.03257 -0.01926 0.01939
35 0.07213 0.11036 -0.00007 0.09086 -0.09648 -0.06820
36 0.26970 0.11784 -0.00001 0.02186 0.02651 0.02061
37 0.07438 0.19694 0.22385 -0.06297 0.03615 -0.03264
38 -0.05713 -0.15004 0.29360 0.04800 -0.02749 0.02458
39 0.09338 0.19352 0.00035 0.52441 0.00794 -0.00087
40 0.23792 0.11319 -0.00024 -0.02146 0.03452 0.02996
41 0.06321 0.17467 0.23071 -0.08525 0.05858 -0.09014
42 -0.04867 -0.13333 0.30277 0.06386 -0.04421 0.06732
43 0.04234 0.12669 0.00020 0.54397 -0.93369 -0.73476
44 0.02842 0.02622 0.00002 0.05091 0.22304 0.33142
45 0.01225 0.03823 0.07592 -0.15284 0.06867 0.03158
46 -0.00935 -0.02907 0.09954 0.11814 -0.05287 -0.02065
47 -0.00339 0.00210 0.00000 0.00288 -0.00159 -0.00204
48 -0.00574 0.00204 -0.00056 0.00043 -0.00090 0.00198
49 0.00439 -0.00156 -0.00073 -0.00031 0.00068 -0.00146
50 0.00413 0.00142 -0.00194 0.00318 -0.00328 -0.00179
51 -0.00009 0.00685 -0.00106 -0.00064 0.00027 -0.00004
52 0.00411 0.00331 0.00194 0.00305 -0.00322 -0.00179
53 -0.00951 0.00229 -0.00002 -0.01859 -0.01790 -0.01319
54 -0.02846 -0.00598 -0.00543 0.00762 -0.00656 0.00856
55 0.02175 0.00453 -0.00705 -0.00585 0.00499 -0.00637
56 0.00805 -0.00003 -0.00918 -0.02891 -0.02255 -0.01044
57 0.00102 0.01276 -0.00509 0.00115 0.00159 -0.00312
58 0.00829 0.00337 0.00916 -0.02887 -0.02198 -0.01140
59 -0.00479 0.07655 -0.09753 0.00326 0.00252 0.01131
60 -0.01684 0.10366 -0.14527 0.00285 -0.00735 0.04688
61 -0.00722 0.06592 -0.10882 -0.08086 -0.08853 0.14104
62 0.00170 0.00693 -0.00299 -0.25193 -0.86480 -0.93307
63 -0.00223 0.00128 -0.00225 -0.00169 0.00208 0.00169
64 0.00202 -0.00307 -0.00048 0.00003 -0.00064 0.00056
65 -0.00070 -0.00427 0.00574 -0.00439 -0.00238 -0.00071
66 -0.00682 0.00071 -0.00483 -0.00302 0.00916 0.02048
67 0.00338 -0.00554 -0.00097 -0.00201 -0.00026 -0.01023
68 0.00007 0.00026 0.00102 -0.00649 -0.00861 -0.03144
69 -0.00448 0.07655 0.09742 0.00324 0.00247 0.01174
70 -0.01655 0.10424 0.14529 0.00356 -0.00745 0.04680
71 -0.00738 0.06631 0.10846 -0.08615 -0.08986 0.13909
72 0.00155 0.00677 0.00266 -0.26468 -0.85987 -0.99600
73 -0.00222 0.00128 0.00223 -0.00165 0.00208 0.00175
74 0.00122 0.00333 0.00566 0.00429 0.00212 0.00091
75 -0.00174 0.00406 0.00102 0.00126 0.00130 -0.00026
76 -0.00681 0.00085 0.00485 -0.00321 0.00898 0.02051
77 0.00083 -0.00174 0.00126 0.00563 0.00811 0.02800
78 -0.00339 0.00576 -0.00010 0.00278 0.00204 0.01790
79 0.13041 -0.12521 0.00006 0.00209 0.00924 -0.01472
80 0.16293 -0.18492 0.00028 -0.02901 0.01943 -0.06654
81 0.06087 -0.11187 0.00045 -0.10895 0.05424 -0.38320
82 0.00091 -0.00465 0.00080 -0.44715 -1.60680 1.78547
83 0.00192 -0.00369 -0.00001 -0.00230 0.00217 0.00065
84 -0.00677 0.00585 -0.00140 -0.00299 -0.00264 0.00233
85 0.00515 -0.00445 -0.00185 0.00230 0.00203 -0.00183
86 -0.00222 -0.00721 0.00011 -0.00575 0.01548 -0.01214
87 -0.00261 0.00463 -0.00185 0.00581 -0.02185 0.03648
88 0.00213 -0.00361 -0.00221 -0.00472 0.01642 -0.02765
89 0.01873 -0.08599 0.00001 -0.02362 0.01084 -0.00331
90 0.01623 -0.13369 -0.00022 -0.06660 0.03699 -0.01697
91 0.01167 -0.09625 -0.00006 -0.55472 0.27318 -0.15889
92 0.00233 0.00478 -0.00024 -0.44970 0.45544 -0.37739
93 0.00672 0.00575 -0.00000 -0.00264 0.00242 0.00048
94 0.00284 -0.00478 0.00616 0.00735 -0.00184 0.00260
95 -0.00219 0.00362 0.00812 -0.00571 0.00144 -0.00201
96 0.00948 0.00918 0.00006 -0.00845 0.01123 -0.00175
97 -0.00096 -0.00056 0.01093 0.03287 -0.01535 -0.00819
98 0.00081 0.00081 0.01411 -0.02383 0.01126 0.00680
13 14 15 16 17 18
----------- ----------- ----------- ----------- ----------- -----------
1 0.00005 -0.00742 0.00862 0.00056 0.03215 -0.00573
2 0.00011 -0.01205 0.01450 0.00093 0.05446 -0.01394
3 -0.00003 -0.01197 0.00188 0.00006 0.02693 0.02557
4 -0.04467 -0.02307 -0.00205 -0.00942 -0.00495 -0.00811
5 -0.06009 0.01764 0.00287 -0.01190 0.00370 0.00681
6 0.00548 0.07584 0.00907 0.00085 -0.12213 -1.08187
7 -0.00013 -0.01317 0.00346 0.00019 0.04355 0.00691
8 -0.05692 -0.02670 -0.01042 -0.01803 -0.00849 -0.04240
9 -0.07641 0.02062 0.01097 -0.02230 0.00617 0.03405
10 -0.02294 0.11622 -0.52524 -0.03086 -0.00819 4.48562
11 -0.00391 -0.14163 0.09138 0.00386 0.45581 0.59021
12 -0.02383 -0.08844 -0.21639 -0.20642 0.04419 -0.71831
13 -0.03300 0.07207 0.19828 -0.24271 -0.03618 0.56154
14 -0.03985 -1.68384 1.02414 0.07491 14.56665 4.82433
15 -0.00943 -1.91911 1.18350 0.06688 -1.48064 0.01379
16 -0.04321 -1.45100 -2.69385 -2.80761 0.60276 -1.28112
17 -0.08822 1.13244 2.41579 -3.27279 -0.45238 0.96792
18 0.00010 0.00703 -0.00549 -0.00034 -0.00111 -0.01056
19 -0.00029 0.00078 -0.00074 -0.00207 0.00147 -0.00448
20 -0.00039 -0.00055 0.00086 -0.00261 -0.00114 0.00348
21 0.00140 -0.00148 0.00519 -0.00695 -0.00167 -0.00880
22 0.00081 -0.00579 -0.01379 -0.00490 0.00233 -0.01403
23 -0.00134 -0.00314 0.00034 0.00728 -0.00105 -0.01274
24 0.00303 0.04278 0.01552 0.00095 0.10424 -0.56731
25 -0.02048 0.00269 0.02623 0.01440 -0.00608 0.10128
26 -0.02805 -0.00273 -0.02278 0.01526 0.00526 -0.07886
27 -0.01034 0.01975 0.03321 -0.01215 0.00376 -0.65577
28 -0.00719 -0.03449 -0.00473 -0.00940 0.00468 0.11375
29 0.01680 0.01017 0.03084 0.01673 0.00479 -0.62292
30 -0.00007 -0.00239 -0.00136 -0.00007 0.00474 0.00922
31 -0.00010 -0.00112 -0.00350 -0.00018 0.00699 0.01582
32 -0.00019 -0.03084 0.03209 0.00202 -0.02997 -0.03008
33 -0.01491 0.03435 0.02217 0.02837 0.01715 -0.06304
34 -0.02009 -0.02643 -0.02055 0.03302 -0.01304 0.04841
35 0.00067 0.08350 -0.04538 -0.00238 0.00404 -0.04204
36 -0.00025 -0.04412 0.04582 0.00279 -0.04514 -0.02238
37 -0.01722 0.05150 0.03318 0.04490 0.02156 -0.07235
38 -0.02322 -0.03968 -0.03119 0.05273 -0.01649 0.05559
39 -0.00123 -0.31308 0.30823 0.01704 -0.31174 -0.04929
40 -0.00134 -0.05181 0.09256 0.00657 0.07348 -0.08603
41 -0.05240 0.03250 0.00426 0.03742 0.10187 -0.33638
42 -0.07137 -0.02483 -0.00768 0.04691 -0.07692 0.25727
43 0.02514 1.04500 -1.49262 -0.09209 -2.02322 -3.06463
44 -0.00644 -0.29715 -0.18885 -0.01783 0.40620 1.85041
45 0.06710 0.37473 0.64625 0.32874 -0.05941 1.50945
46 0.09945 -0.29008 -0.53542 0.33890 0.04398 -1.15836
47 0.00002 0.00415 -0.00251 -0.00015 -0.00107 0.00164
48 0.00137 0.00063 0.00002 0.00072 -0.00028 0.00531
49 0.00187 -0.00050 -0.00014 0.00096 0.00021 -0.00410
50 0.00001 0.00162 0.00003 -0.00138 -0.00081 -0.00119
51 0.00001 0.00008 -0.00145 -0.00085 -0.00123 -0.00069
52 0.00002 0.00161 -0.00059 0.00137 -0.00117 -0.00135
53 0.00030 0.04810 -0.03746 -0.00210 -0.01075 0.01075
54 0.00782 -0.00197 -0.00906 -0.00287 0.00072 -0.00155
55 0.01029 0.00160 0.00735 -0.00244 -0.00050 0.00111
56 0.00241 0.04628 -0.02285 -0.00651 0.01597 0.01276
57 0.00135 -0.01064 -0.01733 -0.00424 0.01009 -0.03575
58 -0.00205 0.04339 -0.02829 0.00405 0.01885 0.00270
59 -0.01916 -0.01131 -0.00872 0.02936 -0.00853 -0.01937
60 -0.04288 -0.02538 -0.00120 0.02232 0.11674 -0.10557
61 -0.29844 -0.30286 -0.41517 1.16222 -1.14779 -1.20396
62 2.06805 -2.31457 -2.21644 5.09296 -3.26722 -0.92666
63 -0.00081 -0.00084 0.00187 -0.00311 0.00138 -0.00032
64 0.00034 -0.00266 -0.00402 -0.00224 0.00111 -0.00542
65 0.00243 -0.00382 0.00142 0.00400 0.00185 0.00168
66 -0.01941 -0.00687 -0.00143 0.01662 -0.03102 -0.02209
67 0.00372 -0.00313 -0.00007 -0.00773 0.00103 0.02057
68 0.04182 0.00310 0.01043 -0.02521 0.02058 0.00338
69 0.01901 -0.01102 -0.00466 -0.03036 -0.00838 -0.01935
70 0.04147 -0.02404 0.00384 -0.02189 0.11507 -0.10000
71 0.30744 -0.28595 -0.23854 -1.21690 -1.14701 -1.18189
72 -2.00940 -2.27705 -1.54850 -5.36832 -3.25615 -0.97208
73 0.00075 -0.00091 0.00136 0.00333 0.00138 -0.00041
74 0.00225 0.00293 -0.00305 0.00413 -0.00148 -0.00315
75 0.00099 0.00365 0.00351 -0.00059 -0.00164 0.00478
76 0.01925 -0.00632 0.00187 -0.01680 -0.03106 -0.02086
77 0.03853 -0.00315 -0.00576 -0.02361 -0.02002 0.00386
78 0.01356 0.00200 0.00037 -0.01455 -0.00588 -0.02025
79 0.00006 -0.00374 0.03676 0.00245 -0.02141 0.00794
80 0.00032 -0.02966 0.07944 0.00318 0.07073 0.43186
81 0.00377 0.15691 1.28920 0.07968 -1.44041 0.24508
82 -0.04363 3.75096 4.48139 0.31076 -4.36523 -0.21171
83 -0.00001 -0.00253 -0.00012 0.00001 0.00098 -0.00025
84 -0.00003 -0.00005 0.00470 -0.00296 0.00166 0.00413
85 0.00008 0.00010 -0.00311 -0.00446 -0.00130 -0.00308
86 0.00018 -0.01776 0.02302 0.00100 -0.03101 0.03746
87 -0.00315 0.01333 -0.03584 -0.00643 0.02564 -0.10716
88 -0.00364 -0.01041 0.02793 -0.00467 -0.01912 0.08146
89 0.00006 0.00229 0.01395 0.00110 0.01423 -0.01270
90 0.00045 -0.02935 -0.05040 -0.00372 0.09467 -0.10570
91 -0.00489 0.54704 1.02446 0.07258 0.34826 0.78182
92 0.01161 1.93684 -1.94586 -0.12047 -0.09482 -0.89936
93 -0.00001 0.00166 -0.00130 -0.00007 -0.00062 -0.00014
94 0.00017 -0.00510 -0.00263 0.00058 -0.00317 0.00365
95 0.00030 0.00392 0.00197 0.00124 0.00246 -0.00285
96 0.00011 0.01484 -0.00122 0.00007 -0.01459 0.02579
97 0.00655 -0.01985 -0.02331 0.00690 0.00543 -0.05167
98 0.00789 0.01461 0.01585 0.01271 -0.00473 0.04002
19 20 21 22 23 24
----------- ----------- ----------- ----------- ----------- -----------
1 -0.02745 -0.00020 0.00188 -0.00027 -0.00588 -0.02174
2 -0.04859 -0.00035 0.00237 -0.00033 -0.00604 -0.04278
3 0.04802 0.00095 0.02192 0.00391 0.10484 -0.08621
4 0.01999 -0.03670 0.09783 0.08423 -0.06367 -0.02618
5 -0.01481 -0.05024 -0.07398 0.11503 0.04175 0.01972
6 -0.24754 -0.00385 -0.22879 0.01661 0.48172 -0.46269
7 0.09106 0.00119 0.02160 0.00758 0.19820 -0.17132
8 0.04094 -0.10031 0.20904 0.16284 -0.13193 -0.06066
9 -0.03010 -0.13616 -0.15730 0.22313 0.08766 0.04546
10 2.20362 0.02246 0.78285 -0.06996 -1.99689 3.99357
11 0.34155 0.00628 0.27961 0.03672 1.03668 -1.61500
12 0.31286 -0.94079 1.27040 0.71262 -0.52326 -0.25466
13 -0.22628 -1.26116 -0.94738 0.97017 0.34529 0.19082
14 -2.30801 0.02202 2.39345 -0.09709 -2.83812 10.42576
15 -0.08084 -0.00002 0.33211 -0.01509 -0.40957 0.22544
16 0.38787 -0.69736 -1.95228 -1.49664 0.05960 -0.36657
17 -0.27842 -0.83590 1.50826 -1.97562 0.07601 0.29254
18 -0.01265 -0.00016 -0.00281 -0.00052 -0.01362 0.00612
19 0.00587 -0.00721 0.00229 0.00495 -0.01180 -0.00913
20 -0.00434 -0.00945 -0.00160 0.00737 0.00858 0.00698
21 0.00119 -0.00903 -0.00436 0.00699 0.01655 -0.01222
22 0.00355 -0.00482 0.01609 0.00308 -0.01060 -0.00692
23 0.00205 0.00907 -0.00019 -0.00590 0.01412 -0.01407
24 -0.21383 -0.00285 -0.12192 0.01016 0.30369 -0.42891
25 -0.01129 0.13494 -0.11098 -0.02316 -0.02624 -0.01484
26 0.00645 0.17831 0.08133 -0.02679 0.02102 0.01137
27 -0.21528 0.08552 -0.09906 -0.03398 0.24368 -0.28857
28 -0.02493 0.04513 -0.18536 -0.02053 0.03592 0.02056
29 -0.22159 -0.09081 -0.14706 0.05064 0.25093 -0.28417
30 0.03425 0.00035 -0.00055 0.00055 0.01421 -0.00328
31 0.06148 0.00064 -0.00020 0.00107 0.02744 -0.00536
32 0.01291 0.00002 -0.01087 0.00304 0.07973 -0.02547
33 0.05337 -0.05134 -0.02863 -0.05235 0.00719 0.01700
34 -0.03983 -0.06688 0.02319 -0.06933 -0.00098 -0.01273
35 0.06620 0.00056 0.01160 0.00618 0.15189 -0.01921
36 0.02990 0.00045 -0.00607 0.00439 0.11640 -0.03645
37 0.07754 -0.04815 -0.03498 -0.04892 0.00123 0.01347
38 -0.05834 -0.06303 0.02797 -0.06435 0.00329 -0.01012
39 -1.79404 -0.01631 -0.01739 -0.06267 -1.56145 0.34365
40 0.01246 -0.00128 -0.05533 0.01128 0.32387 -0.30323
41 0.24219 -0.24470 -0.13593 -0.25734 0.22306 0.13285
42 -0.17988 -0.31553 0.10982 -0.35858 -0.14777 -0.09969
43 0.25627 0.03315 1.71445 0.19986 4.79174 1.99853
44 0.48082 0.02283 1.32625 0.03206 0.80030 0.22532
45 0.24766 1.06656 -1.30958 0.57133 -1.93158 -1.65520
46 -0.20650 1.41526 0.97115 0.92456 1.41543 1.25804
47 0.00313 0.00006 0.00235 0.00025 0.00661 -0.00328
48 -0.00430 0.00499 -0.00303 -0.00243 0.00305 0.00283
49 0.00320 0.00664 0.00220 -0.00340 -0.00214 -0.00215
50 0.00063 0.00037 -0.00056 0.00090 -0.00049 0.00143
51 -0.00293 0.00026 0.00356 0.00062 0.00271 0.00427
52 -0.00022 -0.00037 0.00045 -0.00088 0.00034 0.00258
53 0.14455 0.00159 0.01497 0.00496 0.12044 0.00550
54 -0.00924 0.00988 0.00485 0.00089 0.02528 0.02092
55 0.00693 0.01272 -0.00401 -0.00094 -0.01935 -0.01602
56 0.13506 -0.00342 -0.00289 0.01144 0.11314 -0.02794
57 0.00976 -0.00267 0.02625 0.00594 0.04794 0.02127
58 0.13792 0.00621 0.00409 -0.00192 0.12676 -0.02196
59 -0.00042 0.01780 0.00135 -0.01813 -0.00564 -0.04492
60 0.04703 0.45397 0.21726 -0.15141 0.02435 -0.21540
61 0.05766 1.60293 0.66402 -1.85733 0.25163 -3.97771
62 1.27076 -0.60025 -2.74884 4.11832 0.48933 -1.20579
63 0.00146 -0.00462 -0.00295 0.01003 0.00898 0.00108
64 0.00242 -0.00313 0.00711 0.00037 -0.00282 -0.00438
65 -0.00084 0.00780 0.00764 -0.01285 0.00289 -0.01433
66 0.01318 0.07347 0.02955 -0.04536 -0.01059 -0.02480
67 -0.01436 -0.00362 -0.02559 0.00838 -0.00109 0.01726
68 -0.01130 -0.13130 -0.06792 0.07068 0.00397 0.10602
69 -0.00011 -0.01812 0.00175 0.01755 -0.00704 -0.04494
70 0.05256 -0.44814 0.22823 0.15260 0.01603 -0.21746
71 0.07857 -1.59951 0.69659 1.86417 0.11101 -3.98255
72 1.27976 0.53088 -2.75320 -4.06550 0.80251 -1.17940
73 0.00139 0.00458 -0.00300 -0.00932 0.00972 0.00112
74 0.00133 0.00821 -0.00561 -0.01267 -0.00256 0.01269
75 -0.00206 -0.00106 -0.00894 -0.00304 0.00218 0.00813
76 0.01396 -0.07231 0.03111 0.04439 -0.01356 -0.02532
77 0.00878 -0.12422 0.06147 0.06528 -0.00871 -0.09815
78 0.01694 -0.03784 0.04429 0.02835 -0.00172 -0.04597
79 -0.02048 0.00010 -0.00137 0.00190 0.05209 -0.00430
80 -0.11329 -0.00436 -0.37287 0.00788 0.20255 -0.06532
81 -1.02180 -0.01493 -1.62932 0.10282 2.86871 -2.06492
82 0.27862 0.07223 4.60252 -0.02170 -0.38927 -1.31473
83 0.00522 0.00010 0.00596 -0.00008 -0.00124 -0.00725
84 -0.00424 -0.00554 -0.00944 0.00346 0.00962 -0.00803
85 0.00333 -0.00707 0.00737 0.00380 -0.00758 0.00612
86 -0.00291 -0.00081 -0.06890 0.00102 0.01708 -0.00152
87 0.02550 0.01956 0.09139 -0.00381 -0.05114 0.05192
88 -0.01995 0.02363 -0.07033 -0.00090 0.03932 -0.03983
89 0.06515 0.00009 -0.02877 -0.00223 -0.05551 -0.03103
90 0.16953 -0.00026 0.04178 0.00885 0.18881 0.06633
91 2.31711 -0.02825 -3.44349 -0.17276 -4.09877 -3.36434
92 -2.08401 -0.02716 -0.64423 -0.00245 0.01784 -1.46046
93 0.01109 0.00005 -0.00108 -0.00002 -0.00027 -0.00469
94 -0.01258 0.00108 0.00918 0.00114 0.00042 0.00113
95 0.00966 0.00147 -0.00710 0.00151 -0.00046 -0.00088
96 -0.02575 0.00057 0.01719 -0.00067 -0.01393 0.00555
97 0.04579 0.01749 -0.02756 -0.00410 0.07610 0.00170
98 -0.03643 0.02340 0.02133 -0.01278 -0.05699 -0.00142
25 26 27 28 29 30
----------- ----------- ----------- ----------- ----------- -----------
1 -0.01906 -0.04497 -0.00005 0.01309 0.04076 0.05566
2 -0.03113 -0.07960 -0.00008 0.01739 0.04825 0.06704
3 0.03335 0.10768 -0.00007 -0.01163 -0.06000 0.03367
4 0.02284 0.00436 0.00457 0.02636 0.07263 -0.07580
5 -0.01719 -0.00334 0.00648 -0.02002 -0.05521 0.05847
6 0.81253 -1.56335 -0.00085 -0.60625 -5.09347 -5.64764
7 0.10239 0.20680 -0.00005 0.00798 -0.08094 0.11942
8 0.05739 0.01387 -0.01102 -0.01186 0.04429 -0.04197
9 -0.04339 -0.01091 -0.01417 0.00852 -0.03408 0.03224
10 -1.92061 9.54572 0.00325 1.52492 16.55894 18.07439
11 -0.24214 2.34996 0.00276 0.11453 2.31532 0.49804
12 0.23746 0.09349 -0.91224 -1.34517 -1.05423 1.27594
13 -0.17811 -0.07572 -1.21991 1.00132 0.79621 -0.98345
14 -0.57822 15.37883 -0.00761 -1.72715 5.50673 1.16248
15 -2.66686 0.49563 0.00398 -0.44836 0.34626 0.71404
16 -0.47962 0.37537 1.40297 2.15627 -0.20431 -0.57679
17 0.36836 -0.28378 1.87874 -1.61780 0.15328 0.44254
18 -0.00962 -0.02748 0.00006 -0.01288 -0.06089 -0.05852
19 0.00022 0.00048 -0.01704 -0.01229 0.02333 -0.02398
20 -0.00013 -0.00042 -0.02257 0.00899 -0.01781 0.01833
21 0.01453 -0.00249 -0.02384 0.00076 -0.04658 -0.05666
22 0.00935 -0.00087 -0.01256 -0.05098 0.01950 0.00476
23 0.01704 -0.00266 0.02381 -0.01265 -0.04125 -0.05543
24 0.35990 -0.81137 -0.00054 -0.27350 -2.44418 -3.04470
25 0.03562 -0.01548 0.12422 0.07008 0.27396 -0.33052
26 -0.02752 0.01271 0.16461 -0.05017 -0.20724 0.25494
27 0.41765 -1.00374 0.04740 -0.34970 -2.85192 -2.93686
28 -0.03967 -0.02434 0.02533 0.18695 0.33182 -0.40643
29 0.40686 -1.01130 -0.04841 -0.30082 -2.76343 -3.05125
30 0.01967 -0.00077 0.00003 -0.00248 0.00379 -0.01224
31 0.03850 -0.00952 0.00004 -0.00175 0.01081 -0.01718
32 0.10636 0.14137 -0.00018 0.01364 -0.04145 0.02106
33 -0.05016 0.01073 0.03746 0.03590 0.05627 -0.01410
34 0.03826 -0.00823 0.04979 -0.02659 -0.04288 0.01067
35 0.19074 -0.21472 0.00006 0.13135 0.23422 0.14347
36 0.14185 0.16732 -0.00032 0.00839 -0.09490 -0.00041
37 -0.05502 0.00029 0.04018 0.03673 0.07023 -0.02146
38 0.04194 -0.00030 0.05338 -0.02719 -0.05350 0.01607
39 -1.64707 0.95901 0.00094 -0.89272 -1.53085 0.02170
40 0.55269 1.01875 0.00137 0.00113 0.44936 0.32673
41 -0.39111 0.06073 0.19260 0.63866 0.34589 -0.47464
42 0.29831 -0.04639 0.26291 -0.48238 -0.26284 0.36285
43 5.45005 -11.59977 0.00213 0.37491 -3.51788 -6.35173
44 -2.62188 2.39884 0.00425 -0.28885 2.74385 1.40195
45 0.48357 0.68784 -0.24771 -0.21451 -0.94603 1.13778
46 -0.37088 -0.52325 -0.32655 0.16078 0.72481 -0.86716
47 0.00278 0.00466 0.00003 -0.00256 -0.00162 0.00127
48 -0.00043 -0.00142 0.00517 0.00762 -0.00759 0.00915
49 0.00032 0.00111 0.00688 -0.00570 0.00577 -0.00698
50 0.00275 -0.01140 0.00104 0.00573 0.00825 0.00302
51 0.00418 -0.00113 0.00064 -0.00800 -0.01182 0.01113
52 0.00390 -0.01171 -0.00108 0.00347 0.00495 0.00604
53 0.13363 -0.16755 -0.00008 0.07257 0.06596 0.03302
54 -0.00993 -0.02202 0.00464 0.00241 -0.05091 0.02451
55 0.00747 0.01680 0.00616 -0.00158 0.03904 -0.01883
56 0.19103 -0.14197 -0.01927 0.04485 0.15148 0.06909
57 -0.03611 -0.00787 -0.01093 0.04973 -0.01762 -0.03242
58 0.18105 -0.14414 0.01972 0.05904 0.14673 0.06029
59 0.00381 -0.01481 0.06628 -0.02415 0.05359 -0.00566
60 -0.00426 0.16074 1.37766 -0.72831 0.27473 0.37225
61 -0.75431 -2.17622 -1.38359 0.81576 -3.10808 -1.51251
62 -1.55884 -2.05971 -1.67513 1.11201 -0.22141 0.04960
63 0.00620 0.00951 0.00085 -0.00201 0.00819 -0.01175
64 -0.00021 0.00069 -0.00414 -0.00263 -0.00323 0.00152
65 -0.00612 0.00049 -0.01502 0.01147 0.01162 0.01401
66 -0.00407 -0.01439 0.04194 -0.04581 -0.11696 0.17901
67 0.02846 -0.01210 -0.05209 -0.08305 0.08552 0.03031
68 0.07461 -0.05092 -0.02838 0.02608 -0.05776 -0.17963
69 0.00398 -0.01490 -0.06565 -0.02557 0.05385 -0.00503
70 -0.00289 0.15615 -1.36587 -0.75690 0.27154 0.36799
71 -0.74869 -2.17574 1.37416 0.83202 -3.11967 -1.52488
72 -1.55860 -2.05580 1.66344 1.14798 -0.21977 0.05944
73 0.00620 0.00949 -0.00080 -0.00205 0.00813 -0.01175
74 0.00582 -0.00031 -0.01329 -0.01188 -0.01198 -0.01307
75 0.00185 -0.00081 -0.00800 -0.00085 -0.00004 -0.00521
76 -0.00411 -0.01461 -0.04158 -0.04653 -0.11678 0.17798
77 -0.06424 0.04539 -0.01167 -0.04917 0.07603 0.17847
78 -0.04724 0.02478 -0.05926 0.07331 -0.06657 0.01801
79 -0.01128 -0.01013 -0.00066 0.06883 -0.06879 0.07834
80 -0.12385 0.14770 -0.01529 1.61762 0.43320 -0.42741
81 -1.75082 -2.79145 0.01961 -1.67297 0.07193 -3.52134
82 0.90956 -2.96774 0.02147 -2.01926 -1.04105 1.52180
83 0.01057 0.01026 0.00003 -0.00018 -0.00436 0.00877
84 -0.00759 -0.00185 -0.00298 -0.01344 0.02073 0.01085
85 0.00580 0.00139 -0.00425 0.01018 -0.01589 -0.00834
86 -0.03751 -0.02691 -0.00132 0.10965 0.12955 -0.28668
87 0.07446 -0.02647 -0.05827 -0.05676 -0.36834 0.13813
88 -0.05674 0.02016 -0.07613 0.04226 0.28188 -0.10423
89 -0.00026 -0.01334 0.00009 -0.01931 0.08678 -0.06454
90 -0.17646 -0.11332 -0.00500 0.70974 1.24423 -1.21059
91 -1.15835 2.25382 -0.00269 -0.13083 -3.64884 3.46963
92 2.61825 -0.73213 -0.00781 1.04151 -0.26909 -1.09457
93 -0.00331 0.00247 0.00003 0.00067 -0.01302 0.01197
94 -0.00111 0.00374 -0.00227 -0.00155 0.01174 -0.00794
95 0.00081 -0.00285 -0.00305 0.00126 -0.00876 0.00608
96 0.04793 0.02439 0.00109 -0.20290 0.06743 -0.07558
97 -0.05370 -0.01476 0.00635 0.12189 -0.18657 -0.09219
98 0.04134 0.01150 0.01073 -0.09423 0.13984 0.06995
31 32 33 34 35 36
----------- ----------- ----------- ----------- ----------- -----------
1 0.00924 0.00009 -0.01950 0.00017 0.03554 -0.02011
2 0.02076 0.00007 -0.03049 0.00024 0.05468 -0.04149
3 -0.26918 0.00070 -0.01295 0.00008 0.00670 -0.09340
4 -0.02760 -0.15283 -0.17849 -0.06572 -0.07004 0.01593
5 0.02030 -0.20166 0.13484 -0.08710 0.05296 -0.01244
6 -0.12944 -0.01051 0.31396 -0.01343 -1.28028 -2.61417
7 -0.42132 0.00129 -0.00135 -0.00003 -0.07941 -0.02498
8 -0.01028 -0.11098 -0.09526 -0.02761 -0.04016 0.00422
9 0.00717 -0.14568 0.07170 -0.03598 0.03057 -0.00330
10 0.72264 0.03130 -0.78206 0.03902 4.19994 7.15677
11 4.26392 -0.01121 0.65073 0.00048 -0.30911 2.14940
12 0.60509 2.02317 2.52026 1.64591 1.33601 0.23997
13 -0.45141 2.67430 -1.90031 2.18011 -1.01058 -0.17738
14 5.46039 -0.00832 -0.87841 0.01499 5.69079 -4.83055
15 -0.85438 0.00246 0.10607 0.00011 -0.14726 0.55663
16 -0.03124 -0.96590 -1.17221 -0.03307 -0.29693 0.32969
17 0.01737 -1.27636 0.88643 -0.05145 0.22961 -0.25139
18 -0.01285 -0.00010 0.00503 -0.00021 -0.01930 -0.01466
19 -0.00866 -0.01648 -0.00033 0.01696 0.02029 0.00819
20 0.00657 -0.02155 0.00024 0.02240 -0.01559 -0.00622
21 0.00783 -0.00286 0.00348 -0.00616 -0.00797 -0.02395
22 0.00043 -0.00144 0.00078 -0.00332 -0.01832 -0.01216
23 0.00798 0.00259 0.00370 0.00594 -0.01303 -0.02734
24 0.69017 -0.00741 0.16170 -0.00668 -0.73568 -1.10584
25 -0.25282 -0.67930 -0.61144 -0.12847 0.09158 0.12817
26 0.18952 -0.89505 0.46112 -0.17345 -0.07233 -0.09879
27 -0.25056 -0.46263 0.30751 -0.43982 -0.54688 -1.63753
28 -0.23123 -0.24575 -1.16371 -0.23314 -0.36276 0.10347
29 -0.31239 0.45181 -0.00699 0.42530 -0.64100 -1.60612
30 -0.02987 0.00000 0.01992 -0.00002 -0.01347 0.00160
31 -0.04031 -0.00000 0.02993 -0.00002 -0.01979 0.00373
32 -0.09272 0.00032 -0.00546 -0.00002 -0.04252 0.02850
33 -0.01369 0.01578 0.06972 -0.02915 -0.03983 -0.06088
34 0.01051 0.02099 -0.05316 -0.03859 0.03029 0.04622
35 0.74647 -0.00113 -0.20930 -0.00042 0.13724 0.24014
36 -0.16453 0.00053 -0.00633 0.00008 -0.06353 0.01154
37 -0.02851 0.04346 0.13160 -0.03890 -0.05448 -0.10009
38 0.02194 0.05760 -0.10007 -0.05135 0.04148 0.07591
39 -3.43679 0.00739 0.33974 0.00387 -0.17466 -2.09715
40 1.03834 -0.00250 0.19112 -0.00020 -0.44511 0.57045
41 0.24683 -0.08940 -0.12015 -0.17052 -0.11034 0.14103
42 -0.18838 -0.11631 0.09019 -0.22248 0.08170 -0.10879
43 -4.18191 -0.00313 1.04241 -0.01588 -0.35346 -2.47263
44 1.49251 -0.00267 0.42576 0.00313 0.34565 1.02197
45 0.46302 0.08865 -0.62117 -0.33123 -0.62796 0.03773
46 -0.35213 0.11117 0.47344 -0.44052 0.47596 -0.03076
47 0.01333 -0.00002 -0.00534 -0.00001 0.00221 0.00426
48 0.00655 0.00121 -0.00563 -0.00437 -0.01648 -0.00450
49 -0.00500 0.00152 0.00427 -0.00579 0.01263 0.00346
50 0.01123 -0.00195 -0.00209 -0.00344 0.00356 -0.00087
51 -0.00866 -0.00099 -0.01063 -0.00185 0.00248 0.00109
52 0.00884 0.00193 -0.00499 0.00347 0.00439 -0.00049
53 0.15757 -0.00015 -0.08013 -0.00030 0.03931 0.06359
54 0.02783 0.06645 0.01150 -0.04767 0.00695 0.00189
55 -0.02088 0.08732 -0.00851 -0.06235 -0.00536 -0.00168
56 0.34910 0.02591 -0.05760 -0.01677 0.04261 0.12848
57 0.06933 0.01446 -0.03020 -0.00950 -0.00391 0.05994
58 0.36801 -0.02722 -0.06611 0.01647 0.04136 0.14498
59 -0.00987 0.10422 -0.07021 0.02915 0.04288 -0.09090
60 0.88240 -0.90968 0.31028 -0.92135 0.75702 -0.41840
61 0.57746 -2.44884 1.89682 -1.52702 -1.74181 1.55663
62 -1.37382 2.71364 -1.40435 0.69587 -1.09421 1.15837
63 0.01093 0.01876 -0.00025 -0.02143 0.00904 0.00485
64 0.00033 0.00026 0.00863 0.01397 0.01841 0.01321
65 0.00257 -0.00535 0.00508 -0.01128 -0.00227 0.02591
66 0.00855 -0.46587 0.11836 0.24390 -0.11338 -0.07821
67 -0.01274 0.07556 -0.13319 -0.16280 -0.33567 -0.25178
68 -0.26500 0.55167 -0.39971 0.50677 0.00722 -0.45918
69 -0.01023 -0.10379 -0.07086 -0.02863 0.04233 -0.09099
70 0.88632 0.90311 0.32009 0.91921 0.76173 -0.41333
71 0.58921 2.42769 1.92054 1.50555 -1.72999 1.55848
72 -1.38996 -2.69538 -1.42758 -0.68989 -1.09406 1.15801
73 0.01083 -0.01885 -0.00027 0.02133 0.00909 0.00493
74 -0.00246 -0.00527 -0.00280 -0.01469 0.00711 -0.02146
75 -0.00100 -0.00107 -0.00954 0.01066 -0.01704 -0.01959
76 0.01052 0.46576 0.12035 -0.24281 -0.11244 -0.07858
77 0.25505 0.50962 0.35652 0.53059 -0.09439 0.37748
78 0.08318 0.21542 0.23417 -0.02648 0.32220 0.36447
79 0.02998 -0.00033 0.05460 -0.00006 0.08732 -0.09544
80 0.43330 0.00476 -1.45438 0.00846 -0.02938 -0.51726
81 -0.61130 0.00238 -1.46463 -0.00080 -2.96809 1.34069
82 -0.90538 -0.00822 2.88932 -0.01059 0.06990 0.43417
83 0.02072 -0.00007 0.00689 0.00002 -0.01479 -0.01217
84 0.00098 0.00209 0.00068 0.01609 -0.01107 0.01354
85 -0.00074 0.00270 -0.00047 0.02103 0.00841 -0.01036
86 -0.21577 0.00118 -0.29108 0.00015 0.22065 0.26869
87 -0.06444 -0.01235 0.45002 -0.24655 0.40861 -0.30882
88 0.04905 -0.01232 -0.34394 -0.31876 -0.31083 0.23611
89 -0.03913 -0.00029 0.08824 0.00009 0.00330 -0.05535
90 0.10412 -0.00434 0.87984 -0.00213 -0.05288 -0.24206
91 1.56067 0.00983 -2.94936 0.00559 -0.58605 1.43867
92 -0.11057 -0.00217 0.55909 -0.00073 -0.63672 -0.26216
93 0.00544 0.00002 -0.00213 -0.00001 -0.01666 -0.00500
94 -0.00787 0.00677 0.02134 -0.00954 -0.00875 -0.01389
95 0.00612 0.00899 -0.01624 -0.01244 0.00632 0.01043
96 -0.26447 0.00011 0.05828 0.00027 0.31633 -0.00680
97 0.10812 -0.02979 -0.30651 0.12053 0.22170 0.31118
98 -0.08362 -0.04003 0.23335 0.15973 -0.16357 -0.23445
37 38 39 40 41 42
----------- ----------- ----------- ----------- ----------- -----------
1 -0.00001 0.00176 -0.00007 -0.00011 0.01988 0.00013
2 0.00001 0.00050 -0.00012 -0.00041 0.03782 0.00025
3 -0.00032 -0.05764 0.00002 -0.00805 -0.02090 -0.00027
4 0.01340 -0.00477 0.00088 -0.00846 0.01514 0.02820
5 0.01708 0.00361 0.00162 0.00658 -0.01167 0.03676
6 -0.00233 -1.66898 0.00364 -0.10052 -0.42606 -0.00796
7 -0.00118 -0.23019 0.00056 -0.11500 0.41763 -0.00197
8 0.05435 -0.01057 0.01220 -0.04091 0.07415 0.06751
9 0.07001 0.00805 0.01607 0.03140 -0.05696 0.08791
10 0.00329 3.37363 -0.00280 -0.14168 5.04427 0.00368
11 0.00391 0.90977 -0.00202 0.29002 2.40684 -0.00324
12 0.14523 -0.87594 0.05905 -0.45881 0.30499 1.35199
13 0.20489 0.66551 0.06278 0.35098 -0.23649 1.76814
14 -0.00121 -0.12595 0.00290 0.76504 5.39053 0.02097
15 -0.00090 -0.35548 0.00086 -0.01263 -0.16683 0.00552
16 0.25038 0.06995 0.00580 -0.01432 0.16540 -0.08295
17 0.32541 -0.05410 0.01086 0.01081 -0.12572 -0.11007
18 -0.00000 -0.00961 0.00005 0.00328 0.02637 -0.00013
19 -0.00567 -0.02941 0.00042 -0.01184 0.00098 0.00699
20 -0.00717 0.02241 0.00035 0.00909 -0.00079 0.00908
21 0.01488 -0.01197 0.00165 0.00000 -0.00688 -0.00449
22 0.00822 -0.00950 0.00096 -0.00929 0.00022 -0.00246
23 -0.01488 -0.01454 -0.00163 -0.00262 -0.00680 0.00442
24 -0.00095 -0.79045 0.00191 -0.25651 1.05459 -0.00615
25 -0.19606 0.91407 -0.07638 0.53569 -0.36741 0.13856
26 -0.25752 -0.69674 -0.09060 -0.41120 0.28304 0.18713
27 -0.35320 -1.13145 -0.10441 -0.13054 -0.37860 -0.25179
28 -0.19082 0.82987 -0.06370 0.87430 -0.67161 -0.13696
29 0.35080 -0.90491 0.10785 0.11125 -0.56529 0.24704
30 0.00010 0.00142 0.00000 0.00756 0.03999 0.00026
31 0.00014 0.00014 0.00002 0.00668 0.03449 0.00020
32 -0.00028 -0.07073 0.00008 0.00782 -0.14986 -0.00017
33 -0.01746 0.05780 -0.00309 0.06067 -0.02000 -0.06756
34 -0.02420 -0.04394 -0.00348 -0.04640 0.01543 -0.08822
35 -0.00226 -0.34735 0.00186 -0.65836 -0.87944 -0.01292
36 -0.00030 -0.09082 -0.00010 0.04891 -0.52986 0.00012
37 -0.02481 0.13862 -0.00840 0.12279 -0.05774 -0.17475
38 -0.03448 -0.10557 -0.00971 -0.09403 0.04462 -0.22850
39 0.00976 2.62718 -0.01581 4.72085 0.77537 0.04215
40 0.00052 0.22869 -0.00184 0.77546 2.99259 -0.00804
41 -0.25912 -1.81271 0.01737 -2.11344 -0.04701 0.06644
42 -0.33364 1.38471 0.00496 1.61314 0.03427 0.08343
43 -0.01126 -2.44335 0.00787 -1.90709 -4.88285 -0.03050
44 0.00006 -0.31734 0.00094 0.08860 0.06682 0.00586
45 -0.19538 1.44620 -0.02944 0.69542 0.11139 -0.20958
46 -0.26725 -1.10206 -0.02811 -0.53104 -0.08395 -0.27562
47 -0.00002 0.00813 -0.00001 -0.00335 -0.00302 -0.00034
48 0.00936 -0.01077 0.00116 0.02690 0.01673 -0.00872
49 0.01224 0.00818 0.00162 -0.02049 -0.01277 -0.01147
50 -0.01674 -0.01415 -0.00061 -0.01504 -0.04452 -0.00072
51 -0.00910 0.04347 -0.00057 0.04462 0.00708 -0.00031
52 0.01668 -0.00234 0.00067 -0.00282 -0.04257 0.00038
53 -0.00127 -0.25167 0.00114 -0.34505 -0.60300 -0.00646
54 -0.01144 -0.05742 0.00218 -0.17606 -0.02329 -0.02508
55 -0.01469 0.04383 0.00166 0.13439 0.01767 -0.03340
56 -0.01191 -0.07130 -0.02415 -0.21558 -0.40151 0.01182
57 -0.00724 -0.17251 -0.01274 -0.18627 -0.08154 0.01030
58 0.01076 -0.11873 0.02539 -0.26592 -0.42397 -0.02431
59 -0.00907 -0.03023 0.00133 0.00418 0.01186 0.00668
60 -0.37613 -0.34298 -0.13642 -0.26158 0.37923 -0.89517
61 -0.07180 0.07822 0.01429 0.17350 -1.17108 -0.42647
62 -0.40096 -0.08824 -0.01799 -0.21281 -0.86292 0.27197
63 -0.00625 -0.00513 -0.00307 0.01903 0.01485 0.03551
64 0.00248 0.00262 -0.04269 -0.00668 -0.00395 0.02180
65 0.01377 0.00988 0.00851 0.01905 -0.01556 0.02074
66 -0.03999 0.22614 0.03064 -0.35965 -0.16858 -0.69823
67 0.05600 -0.09582 0.77616 0.10735 0.06462 -0.42865
68 -0.09467 -0.01332 -0.10395 -0.21808 0.12810 -0.30802
69 0.00886 -0.03042 -0.00183 0.00437 0.01195 -0.00658
70 0.37278 -0.34446 0.14179 -0.25833 0.37373 0.90314
71 0.07361 0.07562 -0.01778 0.17196 -1.16983 0.42521
72 0.40288 -0.08848 0.01634 -0.21259 -0.86263 -0.27451
73 0.00615 -0.00514 0.00300 0.01908 0.01487 -0.03553
74 0.01262 -0.00875 0.01983 -0.01999 0.01385 0.01417
75 0.00613 -0.00537 -0.03898 0.00127 0.00785 0.02636
76 0.04236 0.22631 -0.02968 -0.36009 -0.16936 0.69955
77 -0.10641 -0.01386 -0.30719 0.23640 -0.10563 -0.18260
78 0.02675 0.09893 0.72214 -0.04215 -0.09537 -0.49176
79 -0.00011 0.01034 0.00001 0.00834 0.04072 0.00008
80 0.00377 1.41808 -0.00851 0.98649 -0.48942 0.00050
81 0.00473 -0.16526 -0.00104 -0.07798 -1.20606 -0.00102
82 -0.00414 -0.32254 0.00257 -0.18142 -1.02509 -0.00367
83 0.00013 0.01975 0.00002 -0.01967 -0.00034 0.00001
84 -0.00708 0.00533 0.02452 -0.01929 -0.00106 0.02361
85 -0.00942 -0.00394 0.03195 0.01484 0.00075 0.03077
86 -0.00257 -0.42363 -0.00053 0.42132 0.01083 0.00056
87 0.18932 -0.38948 -0.43330 0.16125 0.09039 -0.48842
88 0.25226 0.29477 -0.56914 -0.12536 -0.06785 -0.63795
89 0.00084 0.02217 0.00010 -0.02405 -0.02324 0.00021
90 -0.00255 -2.10450 0.01193 -3.11212 -0.47274 -0.00050
91 0.00385 1.40581 -0.00500 0.52651 0.35468 0.00719
92 0.00342 0.77467 -0.00286 0.32948 0.50528 -0.00345
93 -0.00010 -0.02821 -0.00001 0.02212 -0.00859 -0.00009
94 -0.03862 -0.01171 -0.00118 0.00629 -0.01152 -0.00007
95 -0.05047 0.00909 -0.00158 -0.00483 0.00876 -0.00015
96 0.00238 1.15026 -0.00224 0.01472 0.00549 -0.00026
97 0.69101 -0.55680 0.03881 -1.23624 -0.06822 0.00947
98 0.91091 0.42068 0.04273 0.94344 0.05272 0.00920
43 44 45 46 47 48
----------- ----------- ----------- ----------- ----------- -----------
1 0.00976 0.00001 0.00058 0.00001 -0.00082 -0.01274
2 0.01905 0.00002 0.00442 0.00003 -0.00071 -0.02918
3 -0.05758 -0.00033 0.05849 0.00027 -0.04194 0.03814
4 0.01583 -0.01895 0.03806 -0.00718 0.05289 0.02295
5 -0.01235 -0.02464 -0.02939 -0.00979 -0.04034 -0.01783
6 -1.20047 -0.00273 0.99124 0.00561 -0.19594 -0.17435
7 -0.57114 -0.00212 0.19140 0.00037 -0.25573 0.23198
8 0.00360 -0.08807 0.09729 -0.04915 0.22344 -0.01258
9 -0.00360 -0.11559 -0.07499 -0.06576 -0.17035 0.00785
10 -0.69959 -0.00946 -0.45979 -0.01187 -0.78758 3.13928
11 -1.64439 -0.01206 2.10952 0.00880 -1.38375 0.82051
12 0.39954 -0.19513 1.68785 -0.82226 2.05015 1.44634
13 -0.31713 -0.24102 -1.27993 -1.09189 -1.56300 -1.10931
14 3.44306 -0.00802 0.08596 -0.00533 -1.03555 1.66549
15 1.24851 0.00151 -0.31575 -0.00181 0.14349 0.03478
16 0.09308 -0.06515 -0.30564 0.84840 -1.14972 -0.01479
17 -0.07058 -0.08588 0.22300 1.11673 0.87703 0.01478
18 -0.03154 -0.00014 0.04710 0.00030 -0.01177 -0.03214
19 0.00240 -0.01072 0.00551 0.00254 -0.00300 0.01745
20 -0.00190 -0.01400 -0.00428 0.00332 0.00224 -0.01335
21 0.00022 0.00280 -0.00255 -0.00418 0.00520 0.00752
22 -0.00569 0.00160 -0.01043 -0.00229 -0.01250 -0.00301
23 -0.00134 -0.00277 -0.00550 0.00411 0.00185 0.00668
24 -1.35810 -0.00275 -0.27219 -0.00468 -0.25952 1.40345
25 -0.13110 1.43737 0.13582 0.17639 -0.76694 0.48035
26 0.09714 1.88547 -0.09377 0.22778 0.58264 -0.35748
27 -0.36913 0.72574 1.04535 0.95161 0.17069 -1.04055
28 0.27059 0.39640 -0.20720 0.51249 -1.95990 0.97236
29 -0.29823 -0.72832 0.99591 -0.93770 -0.36561 -0.77870
30 0.04896 -0.00000 -0.00491 -0.00002 -0.01071 0.00211
31 0.03761 -0.00002 0.00002 0.00001 -0.01289 0.00602
32 0.00433 0.00003 0.00743 -0.00001 0.01764 0.05705
33 -0.04565 0.04895 -0.02751 -0.11838 0.09520 -0.03380
34 0.03554 0.06365 0.02253 -0.15513 -0.07254 0.02525
35 -2.73715 -0.00317 0.68663 0.00255 -0.21366 0.12299
36 0.17603 0.00085 -0.14713 -0.00092 0.13564 0.23373
37 -0.08304 0.22748 -0.10671 -0.41927 0.31377 -0.11991
38 0.06512 0.29680 0.08740 -0.54938 -0.23924 0.08996
39 9.60217 0.01586 -1.41481 -0.00084 3.21239 -1.15846
40 -2.34964 -0.00964 1.24999 0.00254 -0.28156 1.57937
41 0.24429 -0.98692 -0.74889 0.88562 -2.19878 -0.31296
42 -0.18643 -1.29235 0.55456 1.17248 1.67808 0.23955
43 -5.59044 0.00593 -0.08879 0.00440 0.99431 -2.08283
44 1.18057 -0.00126 0.04590 -0.00114 -0.17037 0.60296
45 0.13690 0.37566 0.02426 -0.61068 0.43596 0.07471
46 -0.10247 0.49074 -0.00889 -0.80227 -0.33290 -0.05821
47 -0.07307 -0.00008 0.01380 0.00004 0.00336 0.01158
48 -0.00172 -0.01844 0.00525 0.00522 0.01621 0.00365
49 0.00140 -0.02415 -0.00421 0.00684 -0.01234 -0.00286
50 -0.02802 -0.00643 0.00375 0.00276 -0.00026 -0.00165
51 -0.00094 -0.00351 0.00643 0.00155 0.02876 0.00109
52 -0.02831 0.00647 0.00559 -0.00271 0.00760 -0.00134
53 -1.32537 -0.00135 0.35045 0.00150 -0.10027 -0.01830
54 0.06714 -0.07921 -0.03224 0.10128 -0.16929 -0.04159
55 -0.05087 -0.10357 0.02277 0.13342 0.12931 0.03179
56 -1.34519 0.03010 0.35819 0.08027 -0.01835 0.08735
57 0.12286 0.01712 0.00073 0.04319 -0.22870 -0.03686
58 -1.31157 -0.03301 0.35931 -0.07737 -0.08111 0.07711
59 -0.00290 -0.03550 0.01447 -0.02318 -0.03665 0.00883
60 0.61144 1.37584 0.12011 1.30568 1.10774 0.22192
61 0.01725 -0.67320 0.49060 -0.40392 -0.14962 0.11542
62 -0.07613 0.23988 -0.40619 -1.09719 -0.41836 -0.35079
63 -0.01118 0.02375 0.02919 -0.00003 -0.01024 -0.02841
64 0.01510 -0.00075 0.02719 -0.00194 0.00954 0.02880
65 0.00688 -0.01912 0.00434 -0.03001 -0.02112 -0.02068
66 0.28325 -0.44424 -0.79026 0.19051 0.33311 0.68642
67 -0.30461 -0.01924 -0.58663 -0.03473 -0.22684 -0.69138
68 -0.09443 -0.03427 0.01497 0.29195 0.22103 0.39509
69 -0.00306 0.03528 0.01426 0.02333 -0.03697 0.00884
70 0.60372 -1.37708 0.12441 -1.30366 1.10979 0.21027
71 0.01214 0.67206 0.49037 0.41022 -0.14960 0.11681
72 -0.07388 -0.23496 -0.41981 1.09410 -0.41854 -0.34603
73 -0.01083 -0.02388 0.02902 0.00042 -0.01019 -0.02851
74 -0.00275 -0.01839 0.00328 -0.02855 0.02289 0.02754
75 -0.01655 -0.00550 -0.02727 -0.00994 -0.00358 -0.02236
76 0.27617 0.44817 -0.78481 -0.20066 0.33221 0.68836
77 0.01208 -0.02485 -0.17349 0.29171 -0.27273 -0.56535
78 0.32214 -0.03327 0.56139 0.04652 0.15990 0.56215
79 -0.00130 -0.00002 0.02198 0.00022 0.04848 -0.05573
80 0.34084 0.00296 -1.34208 -0.00754 -2.36286 0.22369
81 -0.12997 0.00452 -0.27607 0.00195 0.51326 -1.44927
82 -0.55795 -0.00001 0.47612 0.00343 1.53249 0.07858
83 0.00664 -0.00022 0.05448 0.00031 -0.02592 0.00917
84 0.00755 0.00534 0.01576 0.00363 0.02274 -0.02110
85 -0.00593 0.00704 -0.01209 0.00447 -0.01737 0.01604
86 0.08795 0.00425 -1.27793 -0.00782 0.41290 0.10381
87 -0.18589 -0.12316 -0.17444 -0.12635 -0.12711 0.17142
88 0.14573 -0.16249 0.13507 -0.16253 0.09722 -0.13025
89 0.04344 0.00019 -0.00131 0.00004 -0.03700 0.02942
90 -0.23342 -0.00094 -1.04657 -0.00692 -2.39312 -0.48393
91 1.65592 0.00077 -0.12315 -0.00061 -0.06816 0.41306
92 -0.89065 -0.00088 0.18387 0.00138 -0.18139 -0.14819
93 -0.00817 -0.00012 0.01234 0.00003 0.00606 0.03945
94 0.01996 -0.01339 0.01727 -0.00875 -0.01521 0.02217
95 -0.01525 -0.01739 -0.01315 -0.01156 0.01157 -0.01695
96 -0.15197 0.00233 -0.20383 0.00012 0.23797 -0.62640
97 0.22595 0.35999 -0.66640 0.14687 -0.75174 -0.60231
98 -0.17327 0.46964 0.50901 0.19859 0.57268 0.46120
49 50 51 52 53 54
----------- ----------- ----------- ----------- ----------- -----------
1 -0.01440 -0.00014 -0.00385 -0.03321 -0.00019 -0.02826
2 -0.03980 -0.00033 -0.01143 -0.08719 -0.00050 -0.07261
3 0.14049 -0.00024 0.00785 0.00484 0.00000 0.00281
4 -0.00510 -0.03047 -0.01383 -0.12038 -0.17603 0.19404
5 0.00393 -0.03959 0.01019 0.09321 -0.22951 -0.14823
6 -2.71959 -0.00480 -1.06590 -3.49789 -0.02108 -2.85998
7 0.17113 -0.00127 -0.09227 -0.11658 0.00099 -0.08945
8 -0.04808 0.06490 -0.27410 -0.88037 -1.37389 1.58365
9 0.03687 0.08761 0.20453 0.68135 -1.79290 -1.20988
10 7.39385 0.01335 2.73448 8.54202 0.04250 7.36241
11 3.86706 -0.00539 0.31854 0.71850 0.00271 0.67285
12 -0.26098 -0.90317 -0.50337 -1.89874 -2.38925 2.19522
13 0.19840 -1.17724 0.38154 1.46611 -3.11475 -1.67731
14 4.65393 0.00284 1.23934 1.32837 -0.00278 1.37724
15 -0.18837 0.00121 0.10836 0.24353 0.00131 0.18989
16 -0.08208 0.02678 0.21517 0.04210 0.49284 -0.70630
17 0.06233 0.03334 -0.16201 -0.03592 0.64489 0.53953
18 -0.05091 -0.00001 -0.01370 -0.03967 -0.00015 -0.02653
19 -0.01210 0.02330 -0.03405 0.00238 -0.01664 0.01104
20 0.00928 0.03079 0.02569 -0.00170 -0.02198 -0.00847
21 -0.01963 0.00943 -0.00774 -0.02784 -0.01099 -0.02684
22 -0.00328 0.00517 -0.00692 -0.02787 -0.00602 0.00812
23 -0.02055 -0.00955 -0.00954 -0.03561 0.01060 -0.02454
24 -0.36127 -0.00697 -0.63393 -2.17952 -0.01422 -2.05801
25 -0.23523 1.13909 -2.13022 1.43734 1.51523 -1.43896
26 0.18042 1.50982 1.62258 -1.10829 1.96931 1.09926
27 -2.35833 -1.28598 -1.00286 -2.63755 1.18900 -1.70027
28 -0.00929 -0.69485 2.32331 -0.50823 0.65832 -3.10548
29 -2.35963 1.27836 -0.38048 -2.76808 -1.22113 -2.55261
30 0.02353 -0.00002 -0.00919 -0.00434 0.00000 -0.00404
31 0.03539 -0.00002 -0.00851 -0.00617 -0.00001 -0.00591
32 0.14038 -0.00008 0.01457 0.03300 -0.00006 0.02711
33 0.05880 -0.05883 -0.01926 -0.10831 -0.01180 -0.06373
34 -0.04481 -0.07706 0.01496 0.08271 -0.01503 0.04859
35 -0.44591 -0.00014 0.44154 -0.23859 -0.00168 -0.17509
36 0.52298 -0.00031 0.05956 0.18653 -0.00010 0.13699
37 0.25012 -0.17094 -0.18225 -0.40462 -0.05404 -0.23165
38 -0.19064 -0.22320 0.13967 0.30911 -0.06950 0.17658
39 -2.26081 0.00417 -1.08082 3.22052 0.01213 2.37091
40 -0.37400 -0.00570 -0.57725 -0.16520 -0.00099 -0.50378
41 0.32289 0.26244 1.18204 -0.79313 0.05201 -0.48714
42 -0.24679 0.33414 -0.90272 0.60460 0.07541 0.37196
43 -4.22784 0.00568 1.17108 -1.71710 -0.01064 -1.43932
44 1.58532 0.00115 0.56506 0.97675 0.00324 0.81973
45 0.31784 0.09410 -1.16989 -0.09795 0.03810 -0.19004
46 -0.24200 0.13216 0.89137 0.07461 0.04585 0.14489
47 -0.00506 -0.00003 0.00476 0.00091 -0.00001 -0.00039
48 -0.00903 -0.01362 0.02200 0.00026 -0.00412 0.00585
49 0.00687 -0.01802 -0.01670 -0.00015 -0.00534 -0.00447
50 -0.00645 -0.00023 0.00957 0.00077 0.00329 0.00295
51 -0.00512 -0.00015 0.00043 0.01712 0.00187 0.00385
52 -0.00785 0.00029 0.00968 0.00548 -0.00331 0.00400
53 -0.26820 0.00029 0.21746 -0.11968 -0.00058 -0.07280
54 -0.00395 -0.11385 0.25281 -0.08522 -0.03902 0.08553
55 0.00285 -0.15092 -0.19167 0.06538 -0.04918 -0.06521
56 -0.16326 -0.09732 0.16930 -0.12707 0.04637 -0.10989
57 0.11956 -0.05273 0.10664 0.08440 0.02581 0.04504
58 -0.13037 0.09681 0.19712 -0.10296 -0.04806 -0.09773
59 -0.04403 -0.03086 -0.02631 -0.05284 0.09109 0.01073
60 1.35790 0.09250 -0.06169 0.04318 3.58350 2.48795
61 -0.95713 0.25644 -0.82679 -1.63663 2.10828 0.06382
62 -0.66344 -0.09530 0.08229 0.29802 -1.50514 -0.82543
63 0.02337 0.02692 0.02514 -0.00081 -0.02001 -0.00943
64 0.00015 -0.03262 0.04057 -0.04172 -0.00034 -0.00460
65 0.01163 0.01951 0.00403 -0.00721 0.04753 0.02696
66 -0.46339 -0.65713 -0.57357 0.00709 0.81444 0.45597
67 0.02507 0.76325 -0.83066 0.82339 -0.13199 0.02108
68 -0.31975 -0.04761 0.10960 0.26255 -2.07215 -1.21922
69 -0.04385 0.03034 -0.02703 -0.05184 -0.09124 0.01051
70 1.35798 -0.09380 -0.07319 0.06844 -3.57888 2.48393
71 -0.95724 -0.26670 -0.83170 -1.62202 -2.11790 0.06140
72 -0.66382 0.09801 0.08754 0.28723 1.51108 -0.82350
73 0.02334 -0.02673 0.02538 -0.00093 0.01994 -0.00941
74 -0.01116 0.02761 0.00680 -0.00441 0.04585 -0.02719
75 -0.00326 -0.02651 -0.04003 0.04205 0.01255 -0.00267
76 -0.46284 0.65329 -0.58055 0.01253 -0.81243 0.45485
77 0.31488 -0.25027 -0.32846 -0.02226 -1.96031 1.17870
78 0.06098 0.72702 0.76537 -0.85969 -0.68222 0.30122
79 -0.02374 0.00009 0.04218 0.06532 0.00024 -0.06215
80 1.36220 0.00279 0.74816 2.49869 0.01458 -3.15284
81 -0.54864 0.00117 0.41959 1.16466 0.00518 -2.21615
82 -0.78592 -0.00189 -0.55214 -0.75096 -0.00226 1.43427
83 0.01745 -0.00022 -0.04933 0.00661 0.00004 0.02052
84 0.00926 -0.04031 -0.00366 0.03707 -0.00846 -0.03099
85 -0.00710 -0.05279 0.00303 -0.02818 -0.01155 0.02359
86 -0.34009 0.00491 1.15114 0.21514 0.00068 -0.67214
87 -0.31554 0.93658 -0.20898 -1.29178 0.16389 1.49731
88 0.24146 1.22903 0.15354 0.98369 0.22953 -1.14187
89 -0.00446 -0.00027 -0.07416 -0.07306 -0.00000 -0.08643
90 0.86709 0.00490 1.15927 -1.85972 -0.00662 -1.00996
91 0.91231 -0.00898 -2.64909 -1.26486 0.00231 -1.07955
92 -0.40008 -0.00082 -0.08711 -0.08065 -0.00044 -0.11550
93 -0.00841 -0.00016 -0.04639 -0.01598 0.00009 -0.04108
94 -0.02273 0.00531 0.02399 0.05441 -0.00884 0.04355
95 0.01734 0.00684 -0.01837 -0.04143 -0.01170 -0.03326
96 0.07284 0.00235 0.67023 0.70772 0.00062 0.75128
97 0.76056 -0.19350 -0.15838 -1.19245 0.06492 -0.78115
98 -0.58034 -0.25473 0.12267 0.90913 0.08972 0.59581
55 56 57 58 59 60
----------- ----------- ----------- ----------- ----------- -----------
1 -0.05294 -0.09383 -0.00000 0.00067 0.00001 0.03913
2 -0.14652 -0.21093 -0.00000 0.00151 0.00002 0.07020
3 0.04735 -0.18816 0.00007 -0.03233 -0.00005 -0.21318
4 -0.00757 -0.01105 0.04226 0.06724 0.08257 -0.01476
5 0.00636 0.00860 0.05546 -0.05173 0.10809 0.01132
6 -8.79457 2.45854 -0.00396 -0.74390 -0.00100 -1.69957
7 1.00359 -1.06547 0.00033 -0.13891 -0.00003 -0.82402
8 -0.12308 -0.08284 0.18092 -0.16521 -0.21811 -0.18916
9 0.09789 0.06378 0.23778 0.12591 -0.28552 0.14433
10 15.55964 6.58028 0.00629 1.18668 0.00020 -1.33505
11 1.44315 -2.14865 0.00184 -0.01828 0.00020 -1.71268
12 0.23438 -0.03209 0.48123 -0.34858 0.10168 -0.27915
13 -0.17102 0.02834 0.63320 0.26337 0.13442 0.21314
14 -1.36285 2.11607 0.00029 0.21641 0.00042 -1.29846
15 0.46845 0.09670 -0.00015 -0.03334 -0.00018 0.38668
16 0.14176 0.05485 -0.16533 -0.30664 -0.27414 0.04422
17 -0.10942 -0.04228 -0.21646 0.23572 -0.35843 -0.03381
18 -0.05318 0.05323 -0.00002 -0.00655 -0.00001 0.04798
19 0.00318 0.00124 0.00785 -0.11038 -0.04153 0.05747
20 -0.00244 -0.00099 0.01048 0.08435 -0.05414 -0.04375
21 -0.08597 0.01250 -0.03762 0.01289 -0.06293 -0.08460
22 0.00673 0.01167 -0.02080 -0.13079 -0.03471 0.12005
23 -0.08420 0.01571 0.03755 -0.02339 0.06290 -0.05168
24 -5.70104 -0.87715 -0.00171 -0.44305 -0.00038 -1.61629
25 -0.16870 0.02369 -0.02395 2.13912 1.85993 -0.02612
26 0.12353 -0.02038 -0.03781 -1.63695 2.43088 0.02041
27 -6.42148 0.61751 -0.73483 -0.38047 -0.19852 -0.46258
28 0.64921 0.50700 -0.40171 -0.08638 -0.10913 0.32370
29 -6.24165 0.75510 0.72977 -0.40680 0.19771 -0.37333
30 0.00067 0.00675 0.00001 0.00154 0.00001 -0.00388
31 -0.00026 0.01189 0.00004 0.00204 0.00001 -0.02647
32 -0.07535 -0.02720 0.00005 0.03374 0.00006 0.02634
33 0.04209 0.02558 0.01479 0.01252 0.01496 -0.03399
34 -0.03196 -0.01942 0.01932 -0.00962 0.01956 0.02593
35 -0.21618 0.02059 -0.00029 -0.34293 -0.00060 -1.14516
36 -0.30801 -0.22164 0.00026 0.11605 0.00018 0.15093
37 0.14728 0.09038 0.03851 0.03108 0.06778 0.08526
38 -0.11189 -0.06867 0.05101 -0.02404 0.08877 -0.06500
39 0.80251 -0.36692 0.00486 2.02715 0.00348 4.68065
40 -0.44411 -0.13167 0.00105 -0.36479 -0.00031 -2.70138
41 0.02951 0.30931 -0.37255 -1.52828 -0.67062 0.30094
42 -0.02338 -0.23672 -0.48042 1.16901 -0.87346 -0.23005
43 -3.93597 -0.19522 -0.00311 -0.36211 -0.00072 0.87136
44 1.18168 -0.25980 0.00016 -0.13463 -0.00041 0.12666
45 0.34657 -0.03063 -0.00883 0.45291 0.18774 -0.25469
46 -0.26453 0.02314 -0.01419 -0.34615 0.24417 0.19429
47 -0.00310 -0.00587 0.00001 -0.00153 -0.00000 -0.00227
48 0.00398 -0.00220 -0.00176 0.00551 0.00240 0.00354
49 -0.00301 0.00169 -0.00232 -0.00420 0.00312 -0.00270
50 -0.00162 0.00142 0.00335 -0.00099 -0.00224 -0.02439
51 0.00037 -0.00530 0.00187 -0.00331 -0.00123 0.00468
52 -0.00151 -0.00003 -0.00334 -0.00189 0.00224 -0.02311
53 -0.00226 0.23072 -0.00040 -0.24935 -0.00048 0.61804
54 -0.02402 -0.00891 -0.12754 1.39210 1.32144 0.02458
55 0.01871 0.00709 -0.16918 -1.06582 1.72807 -0.01866
56 -0.11013 -0.02293 0.98059 0.09107 0.04383 -1.25145
57 -0.18087 -0.04246 0.53462 -1.28764 0.02179 -0.20031
58 -0.15932 -0.03521 -0.97990 -0.25921 -0.04395 -1.30698
59 0.06437 -0.08941 0.09382 -0.12528 0.04498 0.22816
60 2.86161 -2.33651 -0.99366 -0.17430 0.57357 -0.03524
61 -0.15881 -2.18127 -0.14193 -0.46091 0.08500 0.32117
62 0.60642 0.04080 0.29630 -0.11838 0.39830 0.30001
63 -0.01499 0.02339 0.02452 -0.03110 0.07948 -0.01783
64 0.01725 -0.00179 -0.01405 -0.01670 -0.02349 0.01621
65 0.04331 -0.06936 -0.01116 0.02038 -0.02651 0.00262
66 0.54991 -0.65543 -0.22910 0.14061 -0.50508 0.08817
67 -0.46937 0.09776 0.23651 0.36315 0.13878 -0.07905
68 -1.53293 1.63088 0.23690 0.12070 -0.48621 -0.14220
69 0.06470 -0.08944 -0.09434 -0.12465 -0.04560 0.22824
70 2.87147 -2.33404 0.99537 -0.17649 -0.57340 -0.03509
71 -0.15301 -2.17923 0.14044 -0.46097 -0.08605 0.32131
72 0.60267 0.03959 -0.29597 -0.11568 -0.39882 0.29985
73 -0.01501 0.02340 -0.02460 -0.03075 -0.07957 -0.01785
74 -0.03735 0.06638 -0.00710 -0.02397 -0.01941 0.00176
75 -0.02811 0.02003 -0.01648 0.01089 -0.02963 -0.01630
76 0.55176 -0.65580 0.22962 0.13842 0.50569 0.08844
77 1.36024 -1.54553 0.16722 -0.01995 -0.50526 0.11619
78 0.85897 -0.52672 0.28968 -0.38296 0.00397 0.11408
79 0.02278 -0.12043 0.00027 0.18835 0.00020 -0.14057
80 3.20608 -1.87795 0.00258 0.67091 0.00132 1.02328
81 -0.56574 -2.10925 0.00087 0.28508 0.00043 0.32192
82 0.25376 -0.20260 -0.00040 0.18636 0.00023 0.24527
83 -0.01996 0.01098 0.00005 0.05719 0.00009 -0.03300
84 0.03776 -0.05133 -0.02297 -0.02956 -0.02061 0.04137
85 -0.02874 0.03920 -0.03012 0.02268 -0.02694 -0.03158
86 0.58023 -0.37928 -0.00042 -0.50995 -0.00093 0.17946
87 -1.37341 1.19338 0.19782 -0.38202 0.22243 -0.38765
88 1.04602 -0.91204 0.26200 0.29036 0.29307 0.29590
89 0.09073 0.06163 0.00062 0.00513 0.00005 -0.54278
90 -0.01420 0.47922 -0.00701 -1.64267 -0.00323 1.36976
91 1.54555 0.47337 0.00249 0.49065 0.00129 -0.92006
92 -0.30794 -0.37037 -0.00012 -0.03709 0.00001 -0.02424
93 0.03623 0.00661 -0.00010 -0.07070 -0.00011 0.01488
94 -0.03509 -0.01641 -0.04213 -0.02613 0.01348 0.04341
95 0.02682 0.01252 -0.05500 0.01991 0.01779 -0.03317
96 -0.39747 -0.25930 0.00121 0.69991 0.00112 -0.11971
97 0.40439 0.42072 0.46349 -0.21767 -0.01645 0.25714
98 -0.30843 -0.32047 0.61165 0.16483 -0.02065 -0.19557
61 62 63 64 65 66
----------- ----------- ----------- ----------- ----------- -----------
1 0.01145 0.00000 -0.01924 0.01755 -0.00635 0.00783
2 0.02103 0.00000 -0.04007 0.03107 -0.00199 0.00720
3 -0.07461 -0.00002 0.04807 0.03047 -0.11476 -0.16968
4 -0.06349 -0.00969 -0.03041 0.07909 0.06943 0.17761
5 0.04836 -0.01296 0.02323 -0.06035 -0.05301 -0.13533
6 -1.63534 0.00200 0.10305 -1.45403 4.54535 -1.59130
7 -0.17460 -0.00015 0.44084 -0.20287 -0.62600 0.34726
8 0.26924 -0.53284 -0.48856 -0.59429 -0.30281 -0.64666
9 -0.20521 -0.69847 0.37256 0.45290 0.23136 0.49278
10 1.44635 -0.00074 1.15048 -1.73546 -0.40079 1.62305
11 0.17896 -0.00025 0.87366 -0.51314 -0.56278 0.84066
12 0.16508 -0.87182 -1.01618 -1.06198 -0.53111 -0.81776
13 -0.12646 -1.14317 0.77484 0.80891 0.40576 0.62296
14 -0.13925 -0.00125 1.14332 -1.53628 -3.95610 2.41226
15 0.04581 0.00011 -0.34895 -0.30651 0.03883 0.26581
16 -0.11757 0.45806 0.38545 0.40316 0.19729 0.44218
17 0.08996 0.60044 -0.29393 -0.30707 -0.15094 -0.33720
18 -0.00729 -0.00010 -0.13513 0.23367 -0.11276 -0.24129
19 -0.00621 0.24439 0.19762 0.09344 0.03046 -0.20133
20 0.00463 0.32047 -0.15068 -0.07122 -0.02326 0.15322
21 -0.01100 0.26433 0.01700 -0.19661 0.17517 0.13982
22 -0.07352 0.14457 0.42086 0.21854 0.00483 -0.39204
23 -0.03122 -0.26413 0.13233 -0.13688 0.17680 0.03274
24 -0.99203 0.00123 0.42961 -1.13020 2.51759 -0.25486
25 -0.80178 0.09065 0.24530 0.36925 0.32854 0.58467
26 0.61129 0.12003 -0.18709 -0.28165 -0.25051 -0.44537
27 -0.80662 -0.02602 -0.32578 -0.41848 2.42721 -1.08832
28 0.16266 -0.01421 0.23137 -0.21840 0.05753 0.59931
29 -0.76262 0.02821 -0.26238 -0.47848 2.44321 -0.92456
30 0.00615 -0.00001 -0.03484 0.06636 0.01838 -0.08892
31 0.00691 -0.00004 -0.08694 0.18153 0.04611 -0.24990
32 0.01680 -0.00002 0.02132 0.00515 0.01706 -0.04567
33 -0.03610 0.00300 -0.06397 0.03921 0.02715 0.09134
34 0.02753 0.00393 0.04881 -0.02990 -0.02074 -0.06969
35 -0.59862 0.00022 -0.00025 0.12033 0.67924 -0.83072
36 0.22791 0.00001 -0.02604 0.03295 0.06162 0.17550
37 -0.32524 0.00596 0.02131 -0.13290 -0.07488 -0.06624
38 0.24804 0.00786 -0.01624 0.10135 0.05713 0.05050
39 7.40100 -0.00069 1.50874 -0.09085 -3.32567 5.13177
40 0.50148 0.00070 1.26132 -0.87824 1.36773 -0.39520
41 -2.95540 0.10371 -1.00365 -0.70751 -0.26954 0.28069
42 2.25521 0.13551 0.76553 0.54015 0.20552 -0.21398
43 -1.53514 0.00048 -0.64717 1.56896 1.80115 -3.80546
44 -0.09670 -0.00019 -0.28102 -0.43130 -0.72187 0.53750
45 0.66159 -0.02615 0.25659 0.26206 0.12178 0.25906
46 -0.50477 -0.03401 -0.19572 -0.19996 -0.09277 -0.19758
47 -0.00305 -0.00001 -0.02852 0.04160 -0.00351 -0.02838
48 -0.00014 0.01120 0.02146 0.02602 0.00468 -0.00558
49 0.00011 0.01472 -0.01637 -0.01984 -0.00357 0.00425
50 -0.00936 0.01091 -0.00336 0.02405 0.01091 -0.05109
51 -0.00635 0.00598 0.00027 0.01438 -0.00583 -0.00095
52 -0.01109 -0.01092 -0.00330 0.02799 0.00933 -0.05134
53 -0.21619 -0.00020 -1.08016 1.16698 0.33948 -1.47710
54 -1.33013 0.03058 -0.30548 0.27765 0.09940 0.25354
55 1.01468 0.04091 0.23297 -0.21185 -0.07568 -0.19352
56 0.16955 0.11838 0.08358 0.91416 0.63520 -1.93216
57 -2.17248 0.06485 -0.98996 0.01817 -0.01815 0.40844
58 -0.42480 -0.11845 -0.18780 0.91933 0.63031 -1.82019
59 -0.11759 -1.10462 0.37931 0.10438 1.17643 0.03945
60 0.82061 2.55542 -0.97381 0.11248 -4.69970 0.21865
61 -0.06006 -0.31119 -0.19914 0.24021 0.72619 -0.15401
62 0.03723 -0.58995 -0.17908 0.42028 0.72733 -0.01803
63 0.02081 -0.02891 0.05558 -0.07527 0.01949 0.02084
64 0.00001 0.04096 0.03236 0.01710 -0.01363 -0.03447
65 0.00698 0.12002 -0.08198 0.02187 -0.06890 0.07588
66 -0.15864 0.36666 -0.27598 0.09242 -0.59640 -0.05917
67 -0.21494 -0.03979 0.12164 0.25373 0.35117 0.18132
68 -0.36351 -0.86959 0.38229 -0.18739 1.54184 -0.19488
69 -0.11784 1.10518 0.37944 0.10504 1.17587 0.03957
70 0.82053 -2.55823 -0.97420 0.11055 -4.69803 0.21740
71 -0.06031 0.31175 -0.19931 0.23996 0.72596 -0.15416
72 0.03773 0.59042 -0.17888 0.42106 0.72677 -0.01787
73 0.02086 0.02900 0.05559 -0.07524 0.01937 0.02077
74 -0.00672 0.10480 0.08763 -0.01653 0.06267 -0.08259
75 -0.00185 0.07143 -0.00952 -0.02224 0.03151 0.01310
76 -0.15882 -0.36719 -0.27607 0.09202 -0.59603 -0.05925
77 0.29403 -0.82914 -0.33667 0.24717 -1.39372 0.23575
78 0.30332 -0.26817 -0.21836 -0.19536 -0.74600 -0.12326
79 0.09307 0.00048 -0.96421 -1.13443 0.66128 -0.56525
80 0.01259 -0.00175 2.59345 3.34196 -3.05414 2.72600
81 0.08587 0.00028 -0.49890 0.10554 0.65495 -0.47438
82 0.05054 0.00018 -0.69598 -0.36359 0.39191 -0.91350
83 -0.05950 0.00004 -0.00992 -0.04411 0.05322 0.16075
84 0.00824 0.02815 0.06914 0.07537 -0.06861 -0.17720
85 -0.00623 0.03709 -0.05276 -0.05746 0.05224 0.13508
86 0.29621 0.00003 0.21324 0.42282 -0.33918 0.00505
87 -0.03035 0.09808 -0.65553 -0.98836 0.87044 -0.48063
88 0.02301 0.12729 0.50005 0.75398 -0.66388 0.36678
89 0.53126 0.00003 -0.70185 0.72481 0.42188 0.84069
90 -7.10214 -0.00007 -1.10993 -2.26488 -1.09206 -0.63491
91 1.24238 -0.00012 -0.55109 0.75696 0.28259 1.41817
92 0.00383 0.00004 0.69154 0.07849 0.23414 -0.18917
93 0.04087 0.00002 -0.05809 0.05576 -0.00602 0.08832
94 -0.04086 -0.03697 0.00806 -0.06975 -0.00196 0.01129
95 0.03121 -0.04854 -0.00624 0.05323 0.00161 -0.00847
96 1.04354 -0.00005 0.54014 0.49333 0.31690 -0.07788
97 -2.18041 0.03498 -0.52163 -0.46351 -0.24118 0.17680
98 1.66245 0.04603 0.39810 0.35324 0.18379 -0.13499
67 68 69 70 71 72
----------- ----------- ----------- ----------- ----------- -----------
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2 -0.00001 0.01058 0.00000 -0.00419 -0.02893 -0.00006
3 -0.00001 -0.15426 0.00002 0.13947 0.93711 0.00299
4 0.09957 -0.02287 0.00877 -0.00131 -0.10412 0.85537
5 0.13052 0.01744 0.01150 0.00087 0.07915 1.10229
6 0.00059 -0.88445 0.00059 0.29767 2.29399 0.00579
7 0.00005 0.20878 -0.00012 -0.36688 -2.12387 -0.00668
8 -0.54523 0.34834 0.01650 0.07891 0.21236 -2.13255
9 -0.71478 -0.26595 0.02169 -0.05997 -0.16139 -2.74856
10 -0.00160 1.50021 -0.00014 -0.10505 -3.10052 -0.00848
11 -0.00042 0.45489 -0.00007 -0.35972 -2.46224 -0.00647
12 -0.84217 0.54576 0.22466 0.48878 -0.15003 -1.49363
13 -1.10449 -0.41683 0.29526 -0.37267 0.11479 -1.92905
14 -0.00113 1.03211 -0.00007 0.05806 -0.67542 -0.00082
15 -0.00015 0.17438 -0.00003 0.11390 0.41766 0.00093
16 0.26182 -0.23640 0.06388 -0.08395 0.04035 0.20664
17 0.34354 0.18062 0.08351 0.06418 -0.03077 0.26744
18 0.00003 -0.03800 -0.00003 0.11667 0.73624 0.00006
19 -0.51251 0.75960 -0.83530 -1.02728 0.20250 -0.02010
20 -0.67145 -0.57969 -1.09555 0.78330 -0.15446 -0.02514
21 -0.48155 -0.09717 0.50224 -0.18838 -0.27169 0.01586
22 -0.26385 0.84504 0.27494 1.06364 -0.24326 0.00913
23 0.48149 0.13457 -0.50219 0.10277 -0.33812 -0.01602
24 0.00015 -0.24220 0.00031 -0.05313 -0.40182 0.00058
25 0.68476 -0.81942 0.98795 1.26289 -0.30629 1.00340
26 0.89748 0.62526 1.29592 -0.96296 0.23342 1.29233
27 0.73173 -0.31082 -0.64397 0.48588 1.84623 0.94457
28 0.40131 -1.38293 -0.35271 -1.65345 0.16453 0.53457
29 -0.73100 -0.69014 0.64465 0.03320 1.89129 -0.93698
30 0.00004 -0.03403 0.00000 -0.01826 -0.04792 0.00002
31 0.00010 -0.10122 0.00001 -0.05351 -0.13638 0.00009
32 0.00001 0.03514 -0.00000 0.03706 0.07232 -0.00083
33 -0.00286 0.04381 0.01813 0.02199 0.02100 0.00073
34 -0.00367 -0.03342 0.02376 -0.01675 -0.01600 0.00077
35 0.00026 -0.30492 0.00013 -0.25171 -0.68844 -0.00096
36 -0.00005 0.09807 -0.00003 -0.01584 -0.25603 -0.00002
37 -0.03714 -0.03896 -0.01956 -0.05683 0.01196 -0.02910
38 -0.04876 0.02968 -0.02569 0.04333 -0.00913 -0.03818
39 -0.00177 2.56439 -0.00120 2.31260 5.90661 0.00514
40 0.00013 -0.14422 -0.00000 0.03175 -1.28354 -0.00308
41 0.09614 -0.29917 -0.25018 -0.83099 -0.12979 0.17111
42 0.12644 0.22844 -0.32910 0.63380 0.09904 0.22174
43 0.00186 -1.47013 0.00019 -0.32231 -0.27749 0.00463
44 -0.00027 0.25941 -0.00005 -0.03856 -0.26307 0.00063
45 -0.00076 0.07391 -0.03427 0.02400 0.10820 0.02056
46 -0.00069 -0.05645 -0.04484 -0.01838 -0.08259 0.02967
47 0.00001 -0.00848 0.00000 -0.01187 -0.04179 -0.00007
48 -0.01580 0.02849 0.00590 0.00495 -0.01081 -0.00645
49 -0.02070 -0.02174 0.00774 -0.00377 0.00824 -0.00803
50 -0.00545 -0.02714 0.01347 -0.01197 -0.01164 -0.01079
51 -0.00301 0.00196 0.00739 0.00165 -0.03856 -0.00619
52 0.00549 -0.02660 -0.01346 -0.01154 -0.02222 0.01098
53 0.00054 -0.63658 0.00014 -0.33818 -0.83618 0.00108
54 -0.14828 0.25591 0.21687 0.13092 0.02042 -0.18548
55 -0.19407 -0.19525 0.28444 -0.09965 -0.01551 -0.24067
56 -0.05058 -0.75923 0.08250 -0.40324 -1.09777 -0.05457
57 -0.02847 0.22832 0.04535 0.00833 -0.05557 -0.03136
58 0.05205 -0.69651 -0.08234 -0.40094 -1.11289 0.05407
59 -0.47871 -0.13795 0.05124 0.03058 0.23345 -0.00409
60 2.01828 0.99294 -0.20512 -0.13394 -1.87237 3.15271
61 -0.27751 -0.40931 -0.16405 0.01731 0.22942 0.98211
62 -0.30479 -0.14810 -0.06298 -0.03394 0.23408 -0.61437
63 0.11117 0.04018 -0.27332 0.14476 -0.20196 -0.19561
64 -0.10260 0.01286 0.14344 0.26554 -0.01619 -0.08733
65 -0.41885 -0.26511 -0.14481 0.02330 0.07662 0.09889
66 0.13258 -0.04890 -0.17689 0.08039 0.00027 0.78520
67 0.08443 -0.02717 0.09318 0.19647 0.05778 0.01729
68 -0.05597 0.00675 0.00469 0.12750 0.64417 -1.43284
69 0.47859 -0.13751 -0.05101 0.03069 0.23353 0.00338
70 -2.01834 0.99165 0.20394 -0.13377 -1.87185 -3.18839
71 0.27780 -0.40900 0.16399 0.01757 0.22981 -0.99136
72 0.30483 -0.14777 0.06315 -0.03379 0.23397 0.62039
73 -0.11115 0.04014 0.27321 0.14489 -0.20208 0.19694
74 -0.37697 0.25899 -0.17759 0.04767 -0.07828 0.11845
75 -0.20964 0.05750 0.10023 -0.26219 -0.00462 -0.05486
76 -0.13254 -0.04905 0.17672 0.08051 0.00047 -0.79182
77 -0.07635 -0.01382 -0.02041 -0.07106 -0.60554 -1.40032
78 0.06695 0.02443 0.09098 -0.22316 -0.22592 -0.37353
79 0.00013 0.27411 -0.00000 0.12514 0.10781 0.00096
80 -0.00021 -1.12749 -0.00010 -0.94820 -1.82795 0.02551
81 0.00022 0.28777 0.00002 -0.04686 0.24424 0.00958
82 0.00036 0.03756 -0.00016 0.13604 0.07713 -0.00479
83 -0.00012 0.03932 0.00010 -0.37765 -0.04743 -0.00197
84 -0.06256 0.38623 0.18593 -0.01963 0.09199 -0.10730
85 -0.08196 -0.29449 0.24381 0.01506 -0.07016 -0.14202
86 0.00011 -0.07883 0.00001 -0.18256 0.07304 0.00634
87 0.11642 -0.26694 0.10161 0.07358 0.60013 0.24077
88 0.15254 0.20364 0.13288 -0.05608 -0.45786 0.33545
89 -0.00043 0.62425 -0.00009 0.22947 0.14872 -0.00134
90 0.00026 -1.20098 0.00084 -1.21146 -0.46707 0.00201
91 -0.00073 0.45276 -0.00003 0.18419 0.38955 -0.00330
92 0.00013 -0.22743 0.00002 -0.06526 -0.09109 -0.00086
93 0.00004 -0.06877 -0.00005 -0.13680 -0.12831 0.00249
94 0.05304 -0.04892 -0.08941 -0.08389 0.05912 0.09337
95 0.06946 0.03729 -0.11724 0.06376 -0.04533 0.11970
96 -0.00005 0.34915 -0.00009 0.10688 0.18570 -0.00234
97 0.00319 -0.13715 0.05923 -0.23990 -0.03878 -0.06025
98 0.00441 0.10446 0.07718 0.18306 0.02965 -0.07800
73 74 75 76 77 78
----------- ----------- ----------- ----------- ----------- -----------
1 -0.00035 -0.02921 0.00000 -0.00000 -0.00581 -0.00001
2 -0.00695 -0.03766 0.00002 -0.00001 -0.02142 -0.00004
3 0.31129 -0.94975 -0.00005 0.00023 0.00895 0.00008
4 1.02771 0.18866 0.02760 -0.04342 -0.01184 0.20455
5 -0.79958 -0.14382 0.03673 -0.05599 0.00801 0.26796
6 0.54139 -0.68404 -0.00099 0.00024 0.18791 0.00019
7 -0.68760 2.48529 0.00010 -0.00047 0.07273 0.00002
8 -2.54618 -0.49285 -0.07664 0.13993 0.10706 -0.48312
9 1.98138 0.37580 -0.10168 0.18099 -0.07925 -0.63324
10 -0.78182 -0.22570 0.00121 -0.00066 -0.36156 -0.00016
11 -0.64318 1.15097 0.00033 -0.00056 0.19188 0.00098
12 -1.58092 -0.32230 -0.12546 0.32554 0.96267 0.05820
13 1.23369 0.24603 -0.16364 0.42487 -0.73448 0.07196
14 -0.00960 -1.00785 0.00060 -0.00009 -0.35009 -0.00065
15 0.09255 -0.09151 -0.00002 0.00009 0.05655 0.00010
16 0.19436 0.19519 0.07146 -0.23190 -0.17482 0.03586
17 -0.15234 -0.14899 0.09370 -0.30346 0.13326 0.04773
18 -0.00809 0.62445 -0.00006 0.00009 0.02007 -0.00001
19 -0.06625 -0.05910 0.02674 -0.09167 -0.53422 -0.36294
20 0.05096 0.04505 0.03460 -0.12001 0.40930 -0.47321
21 -0.00833 -0.27496 -0.04885 0.15736 -0.09079 0.10046
22 0.03437 -0.10022 -0.02668 0.08665 0.41717 0.05606
23 0.00137 -0.30250 0.04894 -0.15745 0.02407 -0.10056
24 0.04630 0.14434 -0.00042 -0.00029 0.08675 0.00017
25 1.23833 0.25069 0.02250 -0.03276 0.81036 0.54175
26 -0.96293 -0.19115 0.03071 -0.04277 -0.62073 0.70605
27 0.06389 -0.69910 0.15579 -0.44248 0.11821 0.14601
28 1.98633 0.61688 0.08531 -0.24410 -0.62297 0.07882
29 0.62678 -0.52984 -0.15689 0.44293 -0.05184 -0.14620
30 0.00257 -0.01160 0.00000 -0.00001 0.00299 0.00001
31 0.01226 -0.05547 0.00001 -0.00003 0.01016 0.00004
32 -0.09373 0.34108 0.00000 -0.00000 -0.09882 -0.00028
33 0.01023 0.01493 0.02084 -0.07077 0.03811 0.04864
34 -0.00784 -0.01139 0.02732 -0.09258 -0.02926 0.06348
35 -0.09279 0.43716 0.00002 -0.00029 -0.10376 -0.00020
36 0.00173 -0.25739 0.00002 0.00003 0.06677 0.00019
37 0.00181 0.01719 -0.02380 0.07602 0.01537 -0.06554
38 -0.00080 -0.01310 -0.03120 0.09960 -0.01145 -0.08597
39 0.42924 -2.20250 -0.00023 0.00233 0.29693 0.00006
40 -0.31728 1.72342 -0.00030 -0.00031 0.26934 0.00059
41 0.16468 0.40848 0.03554 -0.06802 -0.40784 -0.03845
42 -0.12893 -0.31172 0.04598 -0.08738 0.31120 -0.04877
43 0.47598 -0.17116 -0.00013 -0.00037 -0.65597 -0.00161
44 0.08996 -0.26462 0.00014 -0.00005 0.15855 0.00052
45 -0.14982 -0.02013 -0.04299 0.14576 0.25362 -0.01599
46 0.11397 0.01539 -0.05616 0.19051 -0.19345 -0.02203
47 -0.00664 -0.00043 0.00001 -0.00001 -0.00026 0.00000
48 -0.02340 -0.01454 -0.00204 0.00820 -0.05975 -0.02972
49 0.01797 0.01109 -0.00270 0.01065 0.04572 -0.03863
50 0.01370 -0.03124 0.00174 -0.01929 0.01410 -0.00437
51 -0.02196 0.01340 0.00096 -0.01052 -0.04018 -0.00255
52 0.00747 -0.02757 -0.00175 0.01928 0.00305 0.00442
53 0.13545 -0.96972 0.00015 -0.00030 -0.11911 -0.00007
54 -0.13834 -0.13506 0.01920 -0.05313 0.17536 -0.03782
55 0.10894 0.10304 0.02508 -0.06988 -0.13350 -0.05048
56 0.01213 0.18875 -0.07712 0.17654 0.00583 -0.07436
57 -0.15722 0.07460 -0.04206 0.09638 -0.03838 -0.04072
58 -0.03216 0.20911 0.07707 -0.17686 -0.00503 0.07441
59 -0.04830 0.03835 0.00433 -0.00488 -0.05176 0.02233
60 -1.96950 0.60857 0.21319 -0.53630 0.32855 0.58880
61 -0.54842 0.53432 0.03356 -0.01604 0.48646 -0.05030
62 0.33345 0.15270 -0.12224 0.36813 -0.10478 -0.04511
63 0.08092 0.00938 -0.02593 0.16654 -0.33421 0.73494
64 -0.18181 -0.03702 0.66151 0.33477 0.18831 0.11443
65 -0.04590 0.30391 -0.09587 0.02939 -0.07373 0.28771
66 -0.37691 0.02478 0.06291 -0.22912 0.40666 -0.45369
67 0.41416 -0.05321 -0.50215 -0.18194 -0.15874 -0.12648
68 0.90770 -0.67761 0.02923 0.03251 0.03099 -0.50721
69 -0.04868 0.03824 -0.00461 0.00474 -0.05163 -0.02260
70 -1.91194 0.60884 -0.21166 0.53768 0.33129 -0.58755
71 -0.53101 0.53417 -0.03415 0.01650 0.48644 0.05256
72 0.32205 0.15260 0.12210 -0.36848 -0.10493 0.04463
73 0.07746 0.00933 0.02624 -0.16658 -0.33068 -0.73621
74 -0.00606 -0.30290 -0.26755 -0.06018 0.11952 0.24779
75 0.18887 -0.04442 0.61316 0.33071 -0.16261 0.18552
76 -0.36271 0.02486 -0.06306 0.22958 0.40455 0.45526
77 -0.74092 0.63938 0.16164 0.07979 -0.06950 -0.45618
78 -0.63297 0.23033 -0.47670 -0.16672 0.14580 -0.25538
79 0.09508 0.04522 -0.00010 0.00003 0.09944 0.00022
80 2.96431 1.69294 0.00004 -0.00184 -0.54988 -0.00082
81 1.05452 0.52939 0.00003 -0.00040 -0.24881 -0.00055
82 -0.56321 -0.12775 -0.00012 0.00048 0.39044 0.00079
83 -0.21643 -0.02852 -0.00024 -0.00001 0.77881 0.00202
84 0.07205 0.21339 -0.46083 -0.00359 0.20914 0.13786
85 -0.05303 -0.16276 -0.60398 -0.00470 -0.16057 0.17966
86 0.71703 0.15703 0.00020 -0.00034 -0.81574 -0.00203
87 -1.09725 -0.82031 0.31305 0.07647 -0.13446 -0.10719
88 0.83240 0.62574 0.41012 0.09909 0.10334 -0.13955
89 -0.15769 -0.18778 0.00014 -0.00007 -0.07298 -0.00014
90 0.27120 0.83132 0.00016 -0.00114 -0.15571 -0.00010
91 -0.37665 -0.03631 -0.00022 0.00058 0.48808 0.00089
92 -0.09507 0.34828 -0.00004 -0.00009 -0.04404 -0.00008
93 0.27668 0.04620 -0.00029 0.00047 0.56181 0.00113
94 0.14393 -0.00691 -0.21672 0.68259 0.32126 -0.18995
95 -0.11124 0.00538 -0.28399 0.89518 -0.24452 -0.25080
96 -0.27047 -0.29388 0.00029 -0.00008 -0.51010 -0.00111
97 -0.04265 0.23729 0.10157 -0.38748 -0.26555 0.10990
98 0.03360 -0.18101 0.13292 -0.50770 0.20233 0.14543
79 80 81 82 83 84
----------- ----------- ----------- ----------- ----------- -----------
1 0.00879 0.00007 -0.00782 0.00589 -0.00463 0.05550
2 0.02772 0.00020 -0.02201 0.00934 -0.01049 0.12038
3 0.01926 0.00006 0.05786 0.26109 0.22281 -0.17733
4 0.41265 0.16721 -0.03879 -0.19106 0.07220 -0.00859
5 -0.31606 0.21642 0.03112 0.14537 -0.05503 0.00656
6 -0.43529 -0.00347 0.22073 -0.25837 0.80349 1.02726
7 -0.06990 -0.00063 -0.05014 -0.63861 -0.40606 0.68912
8 -1.01100 -0.36472 0.17547 0.44376 -0.19270 0.01009
9 0.77401 -0.47047 -0.13715 -0.33764 0.14687 -0.00772
10 0.85313 0.00531 0.08118 1.36379 -0.18245 0.25577
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40 -0.05060 -0.00162 0.25568 -0.23166 0.32167 1.06815
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48 -0.05171 0.00387 0.03091 -0.01424 0.11471 -0.00939
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54 -0.33437 -0.04044 0.20091 0.26792 -0.52597 0.01361
55 0.25527 -0.04918 -0.15360 -0.20428 0.40127 -0.01039
56 0.06115 -0.04460 0.03583 -0.12382 0.57996 0.11121
57 0.18205 -0.02301 -0.13590 0.14420 -0.88467 0.02681
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59 -0.01094 0.01950 -0.02232 0.04176 0.05299 0.04070
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61 -0.20769 -0.28931 0.34725 -0.11293 0.10791 -0.80401
62 0.02080 -0.12009 -0.09893 -0.20082 0.14997 -0.27931
63 0.11911 -0.09992 0.28158 0.68968 0.17061 0.23896
64 0.46175 0.45156 0.63328 -0.27325 -0.01226 -0.06175
65 -0.11226 -0.11005 0.11900 0.27717 0.03105 -0.64112
66 -0.32222 0.22077 -0.18836 -0.63658 -0.31229 -0.25470
67 -0.38509 -0.45962 -0.61484 0.32949 -0.03633 0.02937
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69 -0.01064 -0.01943 -0.02236 0.04167 0.05299 0.04072
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71 -0.20975 0.28434 0.35013 -0.11357 0.10792 -0.80381
72 0.01983 0.12066 -0.09771 -0.20123 0.15028 -0.27932
73 0.11861 0.09940 0.28257 0.68976 0.17063 0.23898
74 0.23159 -0.22512 0.05035 -0.33908 -0.03316 0.60199
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77 -0.34949 0.03684 -0.09717 0.30500 -0.25121 -0.56053
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79 -0.03895 -0.00064 0.08951 -0.03551 0.05711 0.08392
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81 -0.01880 0.00144 -0.31233 0.15824 0.03067 -0.99511
82 -0.37062 -0.00221 0.19126 -0.04823 -0.11040 -0.24256
83 0.51535 0.00349 -0.25815 0.48586 0.36307 0.19165
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85 -0.08931 0.74483 0.04119 -0.06935 -0.11490 0.42256
86 -0.08416 -0.00131 0.07688 -0.63933 -0.29977 -0.27436
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91 -0.49420 -0.00235 0.06797 -0.34845 1.55073 -0.02506
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93 -0.80463 -0.00584 0.62372 -0.07862 0.42215 0.20456
94 -0.05415 -0.07316 0.15322 0.29891 -0.89216 0.04233
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98 -0.07419 0.07175 0.13330 0.20586 -0.33443 -0.07408
85 86 87 88 89 90
----------- ----------- ----------- ----------- ----------- -----------
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34 -0.00522 -0.06759 -1.01265 0.44342 0.60137 0.01362
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36 0.00002 0.02128 0.00002 1.26633 -1.09754 0.00003
37 0.01456 -0.07565 0.94200 0.85050 1.31193 -0.01910
38 0.01920 0.05764 1.23480 -0.64883 -1.00078 -0.02491
39 0.00019 0.34894 -0.00016 -0.45753 -0.05746 -0.00058
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41 -0.09524 -0.21183 -0.63044 -0.07294 0.23901 0.10073
42 -0.12464 0.16170 -0.82645 0.05565 -0.18236 0.13153
43 -0.00012 -0.20466 -0.00021 0.22851 0.00414 0.00007
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46 0.05080 -0.00041 0.33865 -0.06242 -0.02425 0.00950
47 -0.00000 -0.00698 0.00000 -0.04032 0.08790 0.00004
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49 0.04676 -0.04082 0.03535 0.00317 0.03168 -0.30189
50 0.02604 0.00225 0.01606 0.04585 -0.01978 0.94306
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53 -0.00003 -0.08228 -0.00000 -0.62332 0.16900 0.00001
54 0.08634 0.22143 0.02980 0.22215 0.67114 0.14582
55 0.11300 -0.16898 0.03905 -0.16945 -0.51198 0.19164
56 0.03547 -0.07300 -0.00806 -0.34679 -0.66232 -0.56357
57 0.01950 0.06950 -0.00443 0.42743 1.08474 -0.30866
58 -0.03554 -0.05392 0.00808 -0.22968 -0.36506 0.56374
59 -0.18144 0.10453 0.01334 0.05361 -0.04833 0.02804
60 -0.84495 0.62357 -0.08842 0.40354 0.10353 0.27438
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63 -0.34330 0.20630 0.02179 0.05503 -0.03196 0.02701
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66 -0.01635 0.03680 0.00735 -0.03690 0.11245 0.02613
67 -0.08215 -0.10313 -0.05440 -0.01197 -0.01669 -0.05646
68 -0.08441 0.03780 -0.02243 -0.06848 0.00727 -0.05052
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70 0.84541 0.62280 0.08856 0.40356 0.10366 -0.27436
71 -0.50250 -0.30730 0.07002 0.05620 0.03865 -0.01650
72 0.14813 0.03466 -0.38864 -0.16184 -0.13762 0.04690
73 0.34346 0.20605 -0.02177 0.05504 -0.03196 -0.02703
74 0.77109 0.44137 0.00106 0.15945 -0.03904 -0.02931
75 0.32174 0.19281 0.01716 0.06052 -0.03793 -0.00772
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79 -0.00009 -0.21527 -0.00001 0.02396 -0.06327 0.00001
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81 0.00023 0.51554 -0.00001 0.11409 -0.04647 -0.00000
82 -0.00003 -0.11386 -0.00001 0.15858 0.21903 -0.00003
83 -0.00015 -0.36019 -0.00001 -0.00909 -0.05889 0.00001
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91 -0.00001 -0.05957 0.00017 -0.11937 -0.22161 -0.00004
92 -0.00002 -0.08004 -0.00004 -0.01529 0.06351 -0.00000
93 0.00004 0.09757 0.00004 -0.23974 -0.22192 -0.00001
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98 -0.01739 0.08740 0.11291 -0.18367 -0.32513 -0.19381
91 92 93 94 95 96
----------- ----------- ----------- ----------- ----------- -----------
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2 0.00000 -0.00070 0.06060 0.05729 -1.85171 -0.00627
3 -0.00001 0.06109 0.08186 0.02533 -0.01046 0.05130
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14 -0.00002 -0.04351 -0.38061 -0.22012 0.45006 1.50901
15 -0.00000 0.01975 0.12431 0.13589 0.14571 0.26923
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18 0.00001 -0.04294 -0.06896 -0.07615 -3.22029 -0.00692
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22 -0.00285 0.01529 0.01557 -0.02567 -0.00248 -0.00532
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27 0.19456 -0.19239 -0.50910 -0.18871 -2.86845 -0.09104
28 0.10671 -0.20203 0.26731 -0.32696 -0.01287 0.02287
29 -0.19450 -0.24803 -0.43586 -0.27828 -2.87199 -0.08477
30 -0.00000 0.00017 0.00500 -0.00257 0.00210 -0.04076
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32 -0.00001 0.00726 0.10181 0.07712 0.05271 -0.02776
33 0.02905 -0.03675 -0.03255 -0.04211 -0.01847 0.00404
34 0.03807 0.02805 0.02483 0.03212 0.01409 -0.00308
35 0.00004 -0.25484 -0.50265 -0.16034 -0.10817 7.99680
36 0.00001 0.01710 -0.12005 -0.09103 0.01967 0.06666
37 -0.06024 0.06754 0.05318 0.08609 0.04455 -0.01160
38 -0.07893 -0.05156 -0.04057 -0.06567 -0.03398 0.00885
39 -0.00025 1.66341 3.10333 -0.66955 -0.04200 5.15776
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41 0.24962 -0.76329 -0.34085 0.93832 0.08813 0.06103
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47 0.00001 -0.10289 -0.91169 -0.78346 -0.06696 -3.31602
48 1.19507 -1.18844 0.79298 -0.76201 -0.00072 -0.01672
49 1.56625 0.90685 -0.60491 0.58126 0.00056 0.01275
50 0.17980 -0.12858 0.30750 0.57680 0.07218 -3.32002
51 0.09829 1.29446 0.85799 -1.19615 -0.01534 -0.02393
52 -0.17981 0.22546 0.54254 0.24907 0.06798 -3.32658
53 0.00001 -0.02153 0.63882 0.78703 0.02173 -2.60812
54 -0.78489 0.85685 -0.56398 0.71828 0.02487 0.00625
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57 -0.06205 -0.85853 -0.51072 1.10083 0.08201 -0.00674
58 0.11354 -0.28707 -0.73647 -0.28903 -0.01946 -2.55955
59 -0.00056 0.01504 -0.06481 -0.03810 -0.08415 -0.00548
60 0.25958 0.01053 0.29230 0.39770 0.25973 0.02109
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62 -0.20972 -0.04694 0.11087 0.10766 0.08350 -0.13484
63 0.05317 0.03887 -0.01947 0.01613 0.01868 -0.01840
64 -0.01514 -0.00319 0.01013 -0.00262 -0.00401 -0.00142
65 -0.04471 0.00211 0.06413 0.01252 -0.03508 0.00369
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67 -0.01352 0.06156 -0.06983 0.02622 -0.00209 0.00849
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83 0.00001 -0.04262 0.05994 -0.03150 0.01639 -0.02072
84 -0.01020 0.04992 0.00113 0.04911 -0.03131 0.00473
85 -0.01335 -0.03809 -0.00087 -0.03746 0.02388 -0.00361
86 0.00003 -0.10365 0.12130 -0.02787 -0.02840 -0.01302
87 -0.01326 -0.09039 -0.13005 -0.00487 0.04073 0.00767
88 -0.01740 0.06892 0.09920 0.00372 -0.03107 -0.00585
89 -0.00002 0.08759 0.09697 0.14552 0.02618 0.02232
90 0.00020 -0.99610 -0.84565 1.82234 0.16118 0.02756
91 -0.00005 0.07392 -0.09907 -0.04332 0.06968 0.39367
92 -0.00000 -0.01465 -0.02727 -0.23192 -0.15889 -0.05247
93 -0.00001 0.03990 -0.12685 0.05398 -0.04693 0.04438
94 0.00367 0.07061 0.14444 -0.13644 0.02319 -0.07890
95 0.00486 -0.05385 -0.11018 0.10407 -0.01769 0.06019
96 -0.00005 0.33143 0.13110 -0.27874 -0.01137 -0.07121
97 -0.01303 -0.21562 -0.34882 0.70076 0.06525 0.13783
98 -0.01718 0.16436 0.26608 -0.53453 -0.04977 -0.10514
97 98
----------- -----------
1 2.54265 0.02610
2 -4.50256 -0.05766
3 -0.00297 0.03510
4 -0.00091 -0.00173
5 0.00069 0.00132
6 5.31574 -0.02762
7 0.03171 0.04659
8 0.00971 0.00468
9 -0.00741 -0.00357
10 9.67667 0.47988
11 0.18470 0.00063
12 0.04704 -0.01762
13 -0.03588 0.01344
14 0.30397 1.58643
15 0.17592 0.28213
16 -0.01767 0.07248
17 0.01348 -0.05528
18 -2.71525 0.02187
19 -0.00023 -0.00309
20 0.00018 0.00235
21 -2.73611 -0.04583
22 -0.00532 -0.00450
23 -2.73757 -0.04706
24 -2.90763 -0.03598
25 0.00993 0.04385
26 -0.00758 -0.03345
27 -2.97931 -0.10812
28 0.00939 0.01182
29 -2.97673 -0.10488
30 -0.01527 2.70450
31 -0.00929 -4.28382
32 -0.01022 -0.02471
33 -0.00110 -0.00027
34 0.00084 0.00021
35 0.17355 5.42085
36 0.06831 0.06389
37 0.00931 0.00218
38 -0.00710 -0.00166
39 -0.23182 4.87835
40 0.15136 -0.08061
41 0.03549 0.06417
42 -0.02708 -0.04895
43 -1.41711 -2.33082
44 0.45537 0.25524
45 0.03751 0.09157
46 -0.02862 -0.06985
47 -0.04662 -2.27465
48 0.00260 -0.01123
49 -0.00198 0.00856
50 -0.04238 -2.28246
51 0.00220 -0.01574
52 -0.04177 -2.28678
53 -0.20377 -2.28205
54 -0.01411 0.01407
55 0.01077 -0.01073
56 0.03140 -2.22087
57 -0.00192 0.00946
58 0.03087 -2.21828
59 -0.05374 -0.00171
60 -0.00717 0.04019
61 -0.81782 -0.13145
62 0.13816 -0.14104
63 -0.02026 -0.01274
64 0.00808 -0.00159
65 0.05018 -0.00017
66 -0.04815 0.00383
67 0.00572 0.00847
68 0.11039 0.01487
69 -0.05374 -0.00171
70 -0.00716 0.04020
71 -0.81782 -0.13145
72 0.13817 -0.14104
73 -0.02026 -0.01274
74 -0.04626 -0.00025
75 -0.02105 0.00157
76 -0.04815 0.00383
77 -0.10495 -0.01210
78 -0.03470 -0.01210
79 -0.04559 -0.00757
80 -0.05809 0.07944
81 -0.81247 -0.18146
82 0.11000 -0.31546
83 -0.01858 -0.01685
84 0.04032 0.00205
85 -0.03076 -0.00157
86 -0.04834 -0.01928
87 0.09964 0.00622
88 -0.07600 -0.00475
89 -0.02824 0.04795
90 0.06774 0.01881
91 0.16497 0.43242
92 -0.16067 -0.06182
93 -0.01584 0.03594
94 -0.00822 -0.06118
95 0.00627 0.04667
96 -0.02716 -0.07302
97 0.05624 0.14102
98 -0.04290 -0.10757
center of mass
--------------
x = 0.12082777 y = 0.03297960 z = -0.02515924
moments of inertia (a.u.)
------------------
14.054992776690 1.545688575547 -1.178546945394
1.545688575547 73.718967175622 1.363497030567
-1.178546945394 1.363497030567 74.466296329034
Multipole analysis of the density
---------------------------------
L x y z total alpha beta nuclear
- - - - ----- ----- ---- -------
0 0 0 0 -2.000000 -10.000000 -10.000000 18.000000
1 1 0 0 -3.197046 -1.598523 -1.598523 0.000000
1 0 1 0 1.850433 0.925216 0.925216 0.000000
1 0 0 1 -1.396591 -0.698296 -0.698296 0.000000
2 2 0 0 -26.709097 -34.193634 -34.193634 41.678172
2 1 1 0 2.237156 2.167400 2.167400 -2.097644
2 1 0 1 -1.710266 -1.655047 -1.655047 1.599828
2 0 2 0 -29.800350 -18.546172 -18.546172 7.291994
2 0 1 1 2.586140 1.949803 1.949803 -1.313465
2 0 0 2 -28.298721 -17.435398 -17.435398 6.572075
Task times cpu: 42.0s wall: 42.6s
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-m06-2x-125950.movecs
Output is written to : homo-restricted.cube
Type of picture : ORBITAL VIEW
Format used : Gaussian9x Cube
Spin : ALPHA
The orbital 10 is plotted
max element 0.14611959369001179
Task times cpu: 1.9s wall: 2.0s
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-m06-2x-125950.movecs
Output is written to : lumo-restricted.cube
Type of picture : ORBITAL VIEW
Format used : Gaussian9x Cube
Spin : ALPHA
The orbital 11 is plotted
max element 0.21961418696985655
Task times cpu: 1.9s wall: 1.9s
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: 530 530 7380 1114 3840 0 0 4184
number of processes/call -9.92e+14 7.19e+15 7.95e+12 0.00e+00 0.00e+00
bytes total: 7.10e+07 1.14e+07 3.38e+07 0.00e+00 0.00e+00 3.35e+04
bytes remote: 6.20e+07 8.26e+06 3.06e+07 0.00e+00 0.00e+00 0.00e+00
Max memory consumed for GA by this process: 249528 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 80120 29327416
maximum total K-bytes 81 29328
maximum total M-bytes 1 30
CITATION
--------
Please cite the following reference when publishing
results obtained with NWChem:
E. Aprà, E. J. Bylaska, W. A. de Jong, N. Govind, K. Kowalski,
T. P. Straatsma, M. Valiev, H. J. J. van Dam, Y. Alexeev, J. Anchell,
V. Anisimov, F. W. Aquino, R. Atta-Fynn, J. Autschbach, N. P. Bauman,
J. C. Becca, D. E. Bernholdt, K. Bhaskaran-Nair, S. Bogatko, P. Borowski,
J. Boschen, J. Brabec, A. Bruner, E. Cauët, Y. Chen, G. N. Chuev,
C. J. Cramer, J. Daily, M. J. O. Deegan, T. H. Dunning Jr., M. Dupuis,
K. G. Dyall, G. I. Fann, S. A. Fischer, A. Fonari, H. Früchtl, L. Gagliardi,
J. Garza, N. Gawande, S. Ghosh, K. Glaesemann, A. W. Götz, J. Hammond,
V. Helms, E. D. Hermes, K. Hirao, S. Hirata, M. Jacquelin, L. Jensen,
B. G. Johnson, H. Jónsson, R. A. Kendall, M. Klemm, R. Kobayashi, V. Konkov,
S. Krishnamoorthy, M. Krishnan, Z. Lin, R. D. Lins, R. J. Littlefield,
A. J. Logsdail, K. Lopata, W. Ma, A. V. Marenich, J. Martin del Campo,
D. Mejia-Rodriguez, J. E. Moore, J. M. Mullin, T. Nakajima, D. R. Nascimento,
J. A. Nichols, P. J. Nichols, J. Nieplocha, A. Otero-de-la-Roza, B. Palmer,
A. Panyala, T. Pirojsirikul, B. Peng, R. Peverati, J. Pittner, L. Pollack,
R. M. Richard, P. Sadayappan, G. C. Schatz, W. A. Shelton, D. W. Silverstein,
D. M. A. Smith, T. A. Soares, D. Song, M. Swart, H. L. Taylor, G. S. Thomas,
V. Tipparaju, D. G. Truhlar, K. Tsemekhman, T. Van Voorhis,
Á. Vázquez-Mayagoitia, P. Verma, O. Villa, A. Vishnu, K. D. Vogiatzis,
D. Wang, J. H. Weare, M. J. Williamson, T. L. Windus, K. Woliński,
A. T. Wong, Q. Wu, C. Yang, Q. Yu, M. Zacharias, Z. Zhang, Y. Zhao,
and R. J. Harrison
"NWChem: Past, present, and future
J. Chem. Phys. 152, 184102 (2020)
doi:10.1063/5.0004997
AUTHORS
-------
E. Apra, E. J. Bylaska, N. Govind, K. Kowalski, M. Valiev, W. A. de Jong,
T. P. Straatsma, H. J. J. van Dam, D. Wang, T. L. Windus, N. P. Bauman,
A. Panyala, 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,
Eric Hermes, L. Jensen, J. E. Moore, J. C. Becca, 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, 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: 45.9s wall: 46.6s
# MYMACHINENAME: Eric Bylaska - arrow14.emsl.pnl.gov :MYMACHINENAME