3D Periodic Editor 3D Molecular And Reaction Editor Expert Editor Microsoft Quantum Editor EMSL Aerosol Workshop Editor Manual 3D Periodic Editor 3D Molecular And Reaction Editor Expert Editor Microsoft Quantum Editor EMSL Aerosol Workshop Editor Manual Results from an EMSL Arrows Calculation
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The id(s) for emsiles = ON1CN(CN(C1)N(=O)=O)N(=O)=O theory{dft} xc{b3lyp} basis{6-311++G(2d,2p)} solvation_type{COSMO} ^{0} are: 16228
Use id=% instead of esmiles to print other entries.
mformula = C3H7N5O5
iupac = 1-hydroxy-3,5-dinitro-1,3,5-triazinane
PubChem = 86075163
PubChem LCSS = 86075163
synonyms = 1,3,5-TRIAZIN-1(2H)-YLOXY, TETRAHYDRO-3,5-DINITRO-; HE285803; HE337167
Search Links to Other Online Resources (may not be available):
- Google Structure Search
- EPA CompTox Database
- Chemical Entities of Biological Interest (ChEBI)
- NIH ChemIDplus - A TOXNET DATABASE
- The Human Metabolome Database (HMDB)
- OECD eChemPortal
- Google Scholar
+==================================================+
|| Molecular Calculation ||
+==================================================+
Id = 16228
NWOutput = Link to NWChem Output (download)
Datafiles:
mo_orbital_tifany-113905.out00-865214-2020-12-20-11:43:22 (download)
homo-restricted.cube-865214-2020-12-20-11:43:22 (download)
lumo-restricted.cube-865214-2020-12-20-11:43:22 (download)
image_resset: api/image_reset/16228
Calculation performed by we20961
Numbers of cpus used for calculation = 2
Calculation walltime = 192468.700000 seconds (2 days 5 hours 27 minutes 48 seconds)
+----------------+
| Energetic Data |
+----------------+
Id = 16228
iupac = 1-hydroxy-3,5-dinitro-1,3,5-triazinane
mformula = C3H7N5O5
inchi = InChI=1S/C3H7N5O5/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h9H,1-3H2
inchikey = RWXBTPOULBQJOY-UHFFFAOYSA-N
esmiles = ON1CN(CN(C1)N(=O)=O)N(=O)=O theory{dft} xc{b3lyp} basis{6-311++G(2d,2p)} solvation_type{COSMO} ^{0}
calculation_type = ovc
theory = dft
xc = b3lyp
basis = 6-311++G(2d,2p)
charge,mult = 0 1
energy = -768.367830 Hartrees
enthalpy correct.= 0.156316 Hartrees
entropy = 106.913 cal/mol-K
solvation energy = -14.236 kcal/mol solvation_type = COSMO
Sitkoff cavity dispersion = 2.514 kcal/mol
Honig cavity dispersion = 8.268 kcal/mol
ASA solvent accesible surface area = 330.712 Angstrom2
ASA solvent accesible volume = 309.906 Angstrom3
+-----------------+
| Structural Data |
+-----------------+
JSmol: an open-source HTML5 viewer for chemical structures in 3D
Number of Atoms = 20
Units are Angstrom for bonds and degrees for angles
Type I J K L M Value
----------- ----- ----- ----- ----- ----- ----------
1 Stretch N1 N2 1.38497
2 Stretch N1 C5 1.47923
3 Stretch N1 C6 1.47503
4 Stretch N2 O3 1.22353
5 Stretch N2 O4 1.22536
6 Stretch C5 N10 1.44527
7 Stretch C5 H11 1.08057
8 Stretch C5 H12 1.08882
9 Stretch C6 N7 1.45144
10 Stretch C6 H8 1.08296
11 Stretch C6 H9 1.08980
12 Stretch N7 C13 1.45791
13 Stretch N7 O19 1.44406
14 Stretch N10 C13 1.47915
15 Stretch N10 N16 1.40805
16 Stretch C13 H14 1.08491
17 Stretch C13 H15 1.08578
18 Stretch N16 O17 1.21886
19 Stretch N16 O18 1.22245
20 Stretch O19 H20 0.96317
21 Bend N2 N1 C5 114.59009
22 Bend N2 N1 C6 117.38942
23 Bend C5 N1 C6 116.09341
24 Bend N1 N2 O3 117.62554
25 Bend N1 N2 O4 116.03959
26 Bend O3 N2 O4 126.27447
27 Bend N1 C5 N10 108.39262
28 Bend N1 C5 H11 110.12383
29 Bend N1 C5 H12 110.31130
30 Bend N10 C5 H11 110.05374
31 Bend N10 C5 H12 108.00523
32 Bend H11 C5 H12 109.91341
33 Bend N1 C6 N7 111.91245
34 Bend N1 C6 H8 107.98286
35 Bend N1 C6 H9 109.61706
36 Bend N7 C6 H8 110.80081
37 Bend N7 C6 H9 107.33870
38 Bend H8 C6 H9 109.16167
39 Bend C6 N7 C13 111.66945
40 Bend C6 N7 O19 107.53441
41 Bend C13 N7 O19 108.74117
42 Bend C5 N10 C13 116.40961
43 Bend C5 N10 N16 116.78218
44 Bend C13 N10 N16 116.84962
45 Bend N7 C13 N10 112.21756
46 Bend N7 C13 H14 109.42430
47 Bend N7 C13 H15 108.09195
48 Bend N10 C13 H14 107.46278
49 Bend N10 C13 H15 110.10195
50 Bend H14 C13 H15 109.52098
51 Bend N10 N16 O17 117.36163
52 Bend N10 N16 O18 116.35129
53 Bend O17 N16 O18 126.20733
54 Bend N7 O19 H20 103.40679
55 Dihedral N1 C5 N10 C13 -56.92271
56 Dihedral N1 C5 N10 N16 87.71792
57 Dihedral N1 C6 N7 C13 -59.87289
58 Dihedral N1 C6 N7 O19 59.34372
59 Dihedral N2 N1 C5 N10 172.23332
60 Dihedral N2 N1 C5 H11 -67.32274
61 Dihedral N2 N1 C5 H12 54.17201
62 Dihedral N2 N1 C6 N7 -115.57872
63 Dihedral N2 N1 C6 H8 6.62958
64 Dihedral N2 N1 C6 H9 125.44877
65 Dihedral O3 N2 N1 C5 -167.49690
66 Dihedral O3 N2 N1 C6 -26.06419
67 Dihedral O4 N2 N1 C5 15.15031
68 Dihedral O4 N2 N1 C6 156.58302
69 Dihedral C5 N1 C6 N7 25.28043
70 Dihedral C5 N1 C6 H8 147.48873
71 Dihedral C5 N1 C6 H9 -93.69209
72 Dihedral C5 N10 C13 N7 24.24294
73 Dihedral C5 N10 C13 H14 144.57965
74 Dihedral C5 N10 C13 H15 -96.20105
75 Dihedral C5 N10 N16 O17 15.48114
76 Dihedral C5 N10 N16 O18 -167.56233
77 Dihedral C6 N1 C5 N10 30.28472
78 Dihedral C6 N1 C5 H11 150.72865
79 Dihedral C6 N1 C5 H12 -87.77659
80 Dihedral C6 N7 C13 N10 34.67629
81 Dihedral C6 N7 C13 H14 -84.51648
82 Dihedral C6 N7 C13 H15 156.27750
83 Dihedral C6 N7 O19 H20 115.66430
84 Dihedral N7 C13 N10 N16 -120.37349
85 Dihedral H8 C6 N7 C13 179.54431
86 Dihedral H8 C6 N7 O19 -61.23907
87 Dihedral H9 C6 N7 C13 60.43770
88 Dihedral H9 C6 N7 O19 179.65432
89 Dihedral N10 C13 N7 O19 -83.82297
90 Dihedral H11 C5 N10 C13 -177.41023
91 Dihedral H11 C5 N10 N16 -32.76960
92 Dihedral H12 C5 N10 C13 62.59663
93 Dihedral H12 C5 N10 N16 -152.76274
94 Dihedral C13 N7 O19 H20 -123.26303
95 Dihedral C13 N10 N16 O17 159.96476
96 Dihedral C13 N10 N16 O18 -23.07871
97 Dihedral H14 C13 N7 O19 156.98427
98 Dihedral H14 C13 N10 N16 -0.03678
99 Dihedral H15 C13 N7 O19 37.77825
100 Dihedral H15 C13 N10 N16 119.18252
+-----------------+
| Eigenvalue Data |
+-----------------+
Id = 16228
iupac = 1-hydroxy-3,5-dinitro-1,3,5-triazinane
mformula = C3H7N5O5
InChI = InChI=1S/C3H7N5O5/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h9H,1-3H2
smiles = ON1CN(CN(C1)N(=O)=O)N(=O)=O
esmiles = ON1CN(CN(C1)N(=O)=O)N(=O)=O theory{dft} xc{b3lyp} basis{6-311++G(2d,2p)} solvation_type{COSMO} ^{0}
theory = dft
xc = b3lyp
basis = 6-311++G(2d,2p)
charge = 0
mult = 1
solvation_type = COSMO
twirl webpage = TwirlMol Link
image webpage = GIF Image Link
Eigevalue Spectra
---------- 13.91 eV
--- -- ---
---- ----
-- -- -- -
6 - - - -
8 - - - -
8 - - - -
7 - - - -
6 - - - -
7 - - - -
7 - - - -
9 - - - -
-- -- -- -
- - - - --
-- -- -- -
---- ---- LUMO= -2.47 eV
HOMO= -7.56 eV ++++ ++++
++ ++ ++ +
++ ++ ++ +
+++ ++ +++
++++ ++++
++++ ++++
++++ ++++
+ + + + ++
++++++++++
++++++++++
++++++++++
++++++++++
++++++++++
++++++++++
++++++++++
++++++++++
+++ ++ +++
-34.90 eV ++++ ++++
spin eig occ ---------------------------- restricted -34.90 2.00 restricted -34.75 2.00 restricted -30.02 2.00 restricted -30.00 2.00 restricted -29.83 2.00 restricted -28.04 2.00 restricted -26.71 2.00 restricted -24.39 2.00 restricted -21.51 2.00 restricted -21.13 2.00 restricted -19.18 2.00 restricted -17.94 2.00 restricted -16.63 2.00 restricted -16.46 2.00 restricted -16.29 2.00 restricted -15.98 2.00 restricted -15.89 2.00 restricted -15.59 2.00 restricted -15.15 2.00 restricted -14.80 2.00 restricted -14.42 2.00 restricted -13.52 2.00 restricted -12.97 2.00 restricted -12.57 2.00 restricted -12.19 2.00 restricted -12.01 2.00 restricted -11.70 2.00 restricted -10.30 2.00 restricted -10.01 2.00 restricted -9.65 2.00 restricted -9.50 2.00 restricted -9.25 2.00 restricted -9.09 2.00 restricted -8.93 2.00 restricted -8.82 2.00 restricted -8.32 2.00 restricted -7.56 2.00 restricted -2.47 0.00 restricted -2.31 0.00 restricted -0.33 0.00 restricted 0.24 0.00 restricted 0.34 0.00 restricted 0.42 0.00 restricted 0.82 0.00 restricted 1.00 0.00 restricted 1.02 0.00 restricted 1.20 0.00 restricted 1.23 0.00 restricted 1.67 0.00 restricted 2.09 0.00 restricted 2.23 0.00 restricted 2.44 0.00 restricted 2.52 0.00 restricted 2.56 0.00 restricted 2.68 0.00 restricted 2.71 0.00 restricted 2.86 0.00 restricted 2.99 0.00 restricted 3.26 0.00 restricted 3.31 0.00 restricted 3.43 0.00 restricted 3.47 0.00 restricted 3.55 0.00 restricted 3.63 0.00 restricted 3.72 0.00 restricted 3.90 0.00 restricted 3.94 0.00 restricted 4.29 0.00 restricted 4.47 0.00 restricted 4.54 0.00 restricted 4.63 0.00 restricted 4.88 0.00 restricted 5.17 0.00 restricted 5.18 0.00 restricted 5.26 0.00 restricted 5.51 0.00 restricted 5.76 0.00 restricted 5.89 0.00 restricted 6.05 0.00 restricted 6.34 0.00 restricted 6.36 0.00 restricted 6.56 0.00 restricted 6.67 0.00 restricted 6.83 0.00 restricted 6.97 0.00 restricted 7.14 0.00 restricted 7.20 0.00 restricted 7.31 0.00 restricted 7.49 0.00 restricted 7.66 0.00 restricted 7.72 0.00 restricted 7.80 0.00 restricted 7.91 0.00 restricted 8.17 0.00 restricted 8.31 0.00 restricted 8.39 0.00 restricted 8.47 0.00 restricted 8.55 0.00 restricted 8.69 0.00 restricted 8.74 0.00 restricted 9.00 0.00 restricted 9.07 0.00 restricted 9.10 0.00 restricted 9.39 0.00 restricted 9.44 0.00 restricted 9.56 0.00 restricted 9.67 0.00 restricted 9.86 0.00 restricted 10.18 0.00 restricted 10.42 0.00 restricted 10.68 0.00 restricted 10.96 0.00 restricted 11.11 0.00 restricted 11.40 0.00 restricted 11.76 0.00 restricted 11.94 0.00 restricted 12.48 0.00 restricted 12.58 0.00 restricted 13.04 0.00 restricted 13.91 0.00
+----------------------------------------+ | Vibrational Density of States Analysis | +----------------------------------------+ Total number of frequencies = 60 Total number of negative frequencies = 0 Number of lowest frequencies = 13 (frequency threshold = 500 ) Exact dos norm = 54.000 Generating vibrational DOS Generating model vibrational DOS to have a proper norm 10.00 54.00 13.00 54.00 50.00 53.53 12.53 54.00 100.00 52.92 11.92 54.00 Generating IR Spectra Writing vibrational density of states (DOS) to vdos.dat Writing model vibrational density of states (DOS_FIXED) to vdos-model.dat Writing IR spectra to irdos.dat Temperature= 298.15 zero-point correction to energy = 90.426 kcal/mol ( 0.144104) vibrational contribution to enthalpy correction = 95.721 kcal/mol ( 0.152541) vibrational contribution to Entropy = 34.278 cal/mol-k hindered rotor enthalpy correction = 0.000 kcal/mol ( 0.000000) hindered rotor entropy correction = 0.000 cal/mol-k
DOS sigma = 10.000000
- vibrational DOS enthalpy correction = 0.152544 kcal/mol ( 95.723 kcal/mol)
- model vibrational DOS enthalpy correction = 0.152548 kcal/mol ( 95.726 kcal/mol)
- vibrational DOS Entropy = 0.000055 ( 34.455 cal/mol-k)
- model vibrational DOS Entropy = 0.000055 ( 34.465 cal/mol-k)
- original gas Energy = -768.367830 (-482158.089 kcal/mol)
- original gas Enthalpy = -768.211514 (-482059.999 kcal/mol, delta= 0.000)
- unajusted DOS gas Enthalpy = -768.211511 (-482059.997 kcal/mol, delta= 0.002)
- model DOS gas Enthalpy = -768.211507 (-482059.995 kcal/mol, delta= 0.005)
- original gas Entropy = 0.000170 ( 106.913 cal/mol-k,delta= 0.000)
- unajusted DOS gas Entropy = 0.000171 ( 107.090 cal/mol-k,delta= 0.177)
- model DOS gas Entropy = 0.000171 ( 107.099 cal/mol-k,delta= 0.186)
- original gas Free Energy = -768.262312 (-482091.875 kcal/mol, delta= 0.000)
- unadjusted DOS gas Free Energy = -768.262393 (-482091.926 kcal/mol, delta= -0.051)
- model DOS gas Free Energy = -768.262393 (-482091.926 kcal/mol, delta= -0.051)
- original sol Free Energy = -768.284999 (-482106.112 kcal/mol)
- unadjusted DOS sol Free Energy = -768.285080 (-482106.163 kcal/mol)
- model DOS sol Free Energy = -768.285080 (-482106.163 kcal/mol)
DOS sigma = 50.000000
- vibrational DOS enthalpy correction = 0.152230 kcal/mol ( 95.526 kcal/mol)
- model vibrational DOS enthalpy correction = 0.152743 kcal/mol ( 95.848 kcal/mol)
- vibrational DOS Entropy = 0.000054 ( 34.055 cal/mol-k)
- model vibrational DOS Entropy = 0.000056 ( 35.159 cal/mol-k)
- original gas Energy = -768.367830 (-482158.089 kcal/mol)
- original gas Enthalpy = -768.211514 (-482059.999 kcal/mol, delta= 0.000)
- unajusted DOS gas Enthalpy = -768.211825 (-482060.194 kcal/mol, delta= -0.195)
- model DOS gas Enthalpy = -768.211312 (-482059.873 kcal/mol, delta= 0.127)
- original gas Entropy = 0.000170 ( 106.913 cal/mol-k,delta= 0.000)
- unajusted DOS gas Entropy = 0.000170 ( 106.690 cal/mol-k,delta= -0.223)
- model DOS gas Entropy = 0.000172 ( 107.793 cal/mol-k,delta= 0.880)
- original gas Free Energy = -768.262312 (-482091.875 kcal/mol, delta= 0.000)
- unadjusted DOS gas Free Energy = -768.262517 (-482092.004 kcal/mol, delta= -0.129)
- model DOS gas Free Energy = -768.262528 (-482092.011 kcal/mol, delta= -0.136)
- original sol Free Energy = -768.284999 (-482106.112 kcal/mol)
- unadjusted DOS sol Free Energy = -768.285204 (-482106.240 kcal/mol)
- model DOS sol Free Energy = -768.285215 (-482106.248 kcal/mol)
DOS sigma = 100.000000
- vibrational DOS enthalpy correction = 0.151871 kcal/mol ( 95.300 kcal/mol)
- model vibrational DOS enthalpy correction = 0.153069 kcal/mol ( 96.052 kcal/mol)
- vibrational DOS Entropy = 0.000050 ( 31.244 cal/mol-k)
- model vibrational DOS Entropy = 0.000054 ( 33.631 cal/mol-k)
- original gas Energy = -768.367830 (-482158.089 kcal/mol)
- original gas Enthalpy = -768.211514 (-482059.999 kcal/mol, delta= 0.000)
- unajusted DOS gas Enthalpy = -768.212184 (-482060.420 kcal/mol, delta= -0.421)
- model DOS gas Enthalpy = -768.210986 (-482059.668 kcal/mol, delta= 0.331)
- original gas Entropy = 0.000170 ( 106.913 cal/mol-k,delta= 0.000)
- unajusted DOS gas Entropy = 0.000166 ( 103.879 cal/mol-k,delta= -3.034)
- model DOS gas Entropy = 0.000169 ( 106.265 cal/mol-k,delta= -0.648)
- original gas Free Energy = -768.262312 (-482091.875 kcal/mol, delta= 0.000)
- unadjusted DOS gas Free Energy = -768.261540 (-482091.391 kcal/mol, delta= 0.484)
- model DOS gas Free Energy = -768.261476 (-482091.351 kcal/mol, delta= 0.524)
- original sol Free Energy = -768.284999 (-482106.112 kcal/mol)
- unadjusted DOS sol Free Energy = -768.284228 (-482105.628 kcal/mol)
- model DOS sol Free Energy = -768.284163 (-482105.587 kcal/mol)
Normal Mode Frequency (cm-1) IR Intensity (arbitrary)
----------- ---------------- ------------------------
1 -0.000 0.078
2 -0.000 0.021
3 0.000 0.094
4 0.000 0.105
5 0.000 0.618
6 0.000 0.040
7 36.720 1.039
8 45.920 0.971
9 87.210 0.187
10 108.020 0.289
11 169.170 0.235
12 222.890 2.161
13 281.920 3.817
14 299.810 0.442
15 338.200 4.954
16 367.340 13.020
17 395.520 2.518
18 414.210 2.149
19 419.680 1.037
20 503.570 1.040
21 547.330 0.492
22 609.390 5.026
23 641.520 7.499
24 677.590 1.225
25 768.170 6.017
26 773.220 2.643
27 786.310 11.712
28 828.640 7.425
29 857.970 1.178
30 885.070 8.816
31 937.490 38.545
32 961.330 3.892
33 969.530 5.772
34 1033.520 36.205
35 1121.050 6.644
36 1137.550 12.365
37 1173.910 4.930
38 1207.640 2.799
39 1226.020 2.971
40 1282.320 94.700
41 1299.910 49.726
42 1310.240 24.211
43 1324.780 19.960
44 1348.860 6.966
45 1372.090 3.603
46 1377.580 6.052
47 1413.750 8.734
48 1424.970 6.823
49 1491.500 9.977
50 1496.770 3.480
51 1503.250 7.273
52 1594.260 54.415
53 1610.200 85.218
54 3078.410 0.849
55 3090.880 0.752
56 3115.130 0.077
57 3154.790 0.374
58 3169.190 0.131
59 3194.320 1.256
60 3797.770 14.453
No Hindered Rotor Data
+-------------------------------------+
| Reactions Contained in the Database |
+-------------------------------------+
Reactions Containing INCHIKEY = RWXBTPOULBQJOY-UHFFFAOYSA-N
Reactionid Erxn(gas) Hrxn(gas) Grxn(gas) delta_Solv Grxn(aq) ReactionType Reaction
18641 -195.549 -189.609 -180.884 205.285 24.401 A + B --> AB "ON1CN(CN(C1)N(=O)=O)N(=O)=O + [H+] ^{1} --> ON1CN(CN(C1)N(=O)=O)N(=[OH])=O ^{1}"
17238 -60.328 -63.074 -77.454 23.885 -53.568 ABCD + E --> A + BC + DE "ON1CN(CN(C1)N(=O)=O)N(=O)=O + [OH-] ^{-1} --> ON1C[N][CH]N(C1)N(=O)=O + O=[N]=O ^{-1} + O"
531 -24.336 -24.048 -26.175 0.000 -26.175 AB + C --> AC + B "O=N(=O)N1CN(N(=O)=O)CN(N(=O)=O)C1 theory{pspw4} + [OH-] theory{pspw4} --> O=N(=O)N1CN(O)CN(N(=O)=O)C1 theory{pspw4} + O=N[O-] theory{pspw4}"
412 -34.044 -33.727 -36.070 28.819 -7.251 AB + C --> AC + B "O=N(=O)N1CN(N(=O)=O)CN(N(=O)=O)C1 + [OH-] --> O=N(=O)N1CN(O)CN(N(=O)=O)C1 + O=N[O-]"
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KEYWORDs -
reaction: :reaction
chinese_room: :chinese_room
molecule: :molecule
nmr: :nmr
predict: :predict
submitesmiles: :submitesmiles
nosubmitmissingesmiles
resubmitmissingesmiles
submitmachines: :submitmachines
useallentries
nomodelcorrect
eigenvalues: :eigenvalues
frequencies: :frequencies
nwoutput: :nwoutput
xyzfile: :xyzfile
alleigs: :alleigs
allfreqs: :allfreqs
reactionenumerate:
energytype:[erxn(gas) hrxn(gas) grxn(gas) delta_solvation grxn(aq)] :energytype
energytype:[kcal/mol kj/mol ev cm-1 ry hartree au] :energytype
tablereactions:
reaction: ... :reaction
reaction: ... :reaction
...
:tablereactions
tablemethods:
method: ... :method
method: ... :method
...
:tablemethods
:reactionenumerate
rotatebonds
xyzinput:
label: :label
xyzdata:
... xyz data ...
:xyzdata
:xyzinput
submitHf: :submitHf
nmrexp: :nmrexp
findreplace: old text | new text :findreplace
listnwjobs
fetchnwjob: :fetchnwjob
pushnwjob: :pushnwjob
printcsv: :printcsv
printeig: :printeig
printfreq: :printfreq
printxyz: :printxyz
printjobinfo: :printjobinfo
printnwout: :printnwout
badids: :badids
hup_string:
database:
table:
request_table:
listallesmiles
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This software service and its documentation were developed at the Environmental Molecular Sciences Laboratory (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, and Department of Defense environmental science and technology program (SERDP). THE SOFTWARE SERVICE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE SERVICE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE SERVICE.