loading... ../j2s/core/package.js
loading... ../j2s/core/core.z.js -- required by ClazzNode
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(C) 2012 Jmol Development
Jmol Version: 14.0.8 2014-02-14 13:28:
java.vendor: j2s
java.version: JSmol 14.1.8 2/10/2014 10:07:04 AM
os.name: j2s
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loading... ../j2s/core/corescript.z.js
starting QueueThread0_2
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loading... ../j2s/core/corestate.z.js
FileManager.getAtomSetCollectionFromFile(d0003.log)
starting HoverWatcher_3
FileManager opening 1 https://katakago.sakura.ne.jp/cc/vib/d2-1/d0003.log
The Resolver thinks Gaussian
loading... ../j2s/J/adapter/readers/quantum/GaussianReader.js
loading... ../j2s/J/adapter/readers/quantum/MOReader.js -- required by J.adapter.readers.quantum.GaussianReader
loading... ../j2s/J/adapter/readers/quantum/BasisFunctionReader.js -- required by J.adapter.readers.quantum.MOReader
0 model 1 step 0 equivalentAtomSet 1 calculation 1 scan point -1 Input orientation:
Energy for model 1 =
1 model 2 step 0 equivalentAtomSet 2 calculation 1 scan point -1 Standard orientation:
Energy for model 2 =
40 slater shells read
98 gaussian primitives read
Energy for model 2 = -307.666287382
0 gaussian energy -19.15081
1 gaussian energy -19.15081
2 gaussian energy -10.2747
3 gaussian energy -10.23626
4 gaussian energy -10.23626
0 gaussian energy -10.18969
1 gaussian energy -1.07004
2 gaussian energy -1.00293
3 gaussian energy -0.79131
4 gaussian energy -0.67646
0 gaussian energy -0.67357
1 gaussian energy -0.57955
2 gaussian energy -0.51389
3 gaussian energy -0.49167
4 gaussian energy -0.47425
0 gaussian energy -0.45288
1 gaussian energy -0.43977
2 gaussian energy -0.40589
3 gaussian energy -0.39489
4 gaussian energy -0.35858
0 gaussian energy -0.32591
1 gaussian energy -0.31779
2 gaussian energy -0.26638
3 gaussian energy -0.26016
4 gaussian energy 0.09178
0 gaussian energy 0.11915
1 gaussian energy 0.12663
2 gaussian energy 0.13035
3 gaussian energy 0.14383
4 gaussian energy 0.14611
0 gaussian energy 0.16688
1 gaussian energy 0.17969
2 gaussian energy 0.18194
3 gaussian energy 0.19735
4 gaussian energy 0.23749
0 gaussian energy 0.254
1 gaussian energy 0.26181
2 gaussian energy 0.26777
3 gaussian energy 0.52203
4 gaussian energy 0.52304
0 gaussian energy 0.52793
1 gaussian energy 0.5403
2 gaussian energy 0.546
3 gaussian energy 0.57366
4 gaussian energy 0.59009
0 gaussian energy 0.62253
1 gaussian energy 0.67242
2 gaussian energy 0.70724
3 gaussian energy 0.77649
4 gaussian energy 0.79694
0 gaussian energy 0.82104
1 gaussian energy 0.83376
2 gaussian energy 0.84809
3 gaussian energy 0.86086
4 gaussian energy 0.88716
0 gaussian energy 0.90915
1 gaussian energy 0.91374
2 gaussian energy 0.93663
3 gaussian energy 0.946
4 gaussian energy 1.00585
0 gaussian energy 1.02265
1 gaussian energy 1.08791
2 gaussian energy 1.1369
3 gaussian energy 1.17609
4 gaussian energy 1.28372
0 gaussian energy 1.30439
1 gaussian energy 1.37568
2 gaussian energy 1.42019
3 gaussian energy 1.42262
4 gaussian energy 1.48338
0 gaussian energy 1.59655
1 gaussian energy 1.63793
2 gaussian energy 1.67522
3 gaussian energy 1.71585
4 gaussian energy 1.77711
0 gaussian energy 1.81676
1 gaussian energy 1.8385
2 gaussian energy 1.91933
3 gaussian energy 1.97011
4 gaussian energy 1.98698
0 gaussian energy 2.00719
1 gaussian energy 2.03119
2 gaussian energy 2.08429
3 gaussian energy 2.11522
4 gaussian energy 2.15631
0 gaussian energy 2.18436
1 gaussian energy 2.22065
2 gaussian energy 2.24189
3 gaussian energy 2.3438
4 gaussian energy 2.41657
0 gaussian energy 2.45189
1 gaussian energy 2.45219
2 gaussian energy 2.54037
3 gaussian energy 2.54177
4 gaussian energy 2.68347
0 gaussian energy 2.70108
1 gaussian energy 2.72481
2 gaussian energy 2.82186
3 gaussian energy 2.9222
4 gaussian energy 2.9487
0 gaussian energy 3.89936
1 gaussian energy 4.02429
2 gaussian energy 4.16974
3 gaussian energy 4.36347
4 gaussian energy 4.36495
0 gaussian energy 4.54151
106 molecular orbitals read in model 2
0 molecular orbitals read
Mulliken charges found for Model 2
Molecular dipole for model 2 = (-1.5459, 0, 1.244)
Energy for model 2 = -307.667528620
Mulliken charges found for Model 2
Molecular dipole for model 2 = (-1.7930000000000001, 0, 1.2429000000000001)
Energy for model 2 = -307.665229997
Mulliken charges found for Model 2
Molecular dipole for model 2 = (-1.2984, 0, 1.2448000000000001)
Energy for model 2 = -307.666370705
Mulliken charges found for Model 2
Molecular dipole for model 2 = (-1.5458, -0.2242, 1.244)
Energy for model 2 = -307.666370726
Mulliken charges found for Model 2
Molecular dipole for model 2 = (-1.5458, 0.2242, 1.244)
Energy for model 2 = -307.665438285
Mulliken charges found for Model 2
Molecular dipole for model 2 = (-1.5469, 0, 1.0401)
Energy for model 2 = -307.667287834
Mulliken charges found for Model 2
Molecular dipole for model 2 = (-1.5449000000000002, 0, 1.4472)
model 3: A 262.8234 cm^-1
model 4: A 263.4342 cm^-1
model 5: A 430.0746 cm^-1
model 6: A 464.4661 cm^-1
model 7: A 493.6689 cm^-1
model 8: A 652.2464 cm^-1
model 9: A 849.9057 cm^-1
model 10: A 901.4832 cm^-1
model 11: A 917.3442 cm^-1
model 12: A 925.5252 cm^-1
model 13: A 1013.8093 cm^-1
model 14: A 1033.3523 cm^-1
model 15: A 1073.6182 cm^-1
model 16: A 1123.2277 cm^-1
model 17: A 1188.4248 cm^-1
model 18: A 1219.2030 cm^-1
model 19: A 1241.1203 cm^-1
model 20: A 1267.7013 cm^-1
model 21: A 1330.7339 cm^-1
model 22: A 1344.7232 cm^-1
model 23: A 1385.5118 cm^-1
model 24: A 1403.5704 cm^-1
model 25: A 1430.0614 cm^-1
model 26: A 1463.8687 cm^-1
model 27: A 1499.1294 cm^-1
model 28: A 1524.0866 cm^-1
model 29: A 1524.5452 cm^-1
model 30: A 1539.5516 cm^-1
model 31: A 2931.6510 cm^-1
model 32: A 2974.2678 cm^-1
model 33: A 2983.1541 cm^-1
model 34: A 3057.5853 cm^-1
model 35: A 3105.4428 cm^-1
model 36: A 3116.9907 cm^-1
model 37: A 3120.0157 cm^-1
model 38: A 3149.4594 cm^-1
Time for openFile(d0003.log): 4108 ms
reading 532 atoms
ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false
38 models in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them.
Default Van der Waals type for model set to Babel
532 atoms created
ModelSet: autobonding; use autobond=false to not generate bonds automatically
model 3: A 262.8234 cm^-1
model 4: A 263.4342 cm^-1
model 5: A 430.0746 cm^-1
model 6: A 464.4661 cm^-1
model 7: A 493.6689 cm^-1
model 8: A 652.2464 cm^-1
model 9: A 849.9057 cm^-1
model 10: A 901.4832 cm^-1
model 11: A 917.3442 cm^-1
model 12: A 925.5252 cm^-1
model 13: A 1013.8093 cm^-1
model 14: A 1033.3523 cm^-1
model 15: A 1073.6182 cm^-1
model 16: A 1123.2277 cm^-1
model 17: A 1188.4248 cm^-1
model 18: A 1219.2030 cm^-1
model 19: A 1241.1203 cm^-1
model 20: A 1267.7013 cm^-1
model 21: A 1330.7339 cm^-1
model 22: A 1344.7232 cm^-1
model 23: A 1385.5118 cm^-1
model 24: A 1403.5704 cm^-1
model 25: A 1430.0614 cm^-1
model 26: A 1463.8687 cm^-1
model 27: A 1499.1294 cm^-1
model 28: A 1524.0866 cm^-1
model 29: A 1524.5452 cm^-1
model 30: A 1539.5516 cm^-1
model 31: A 2931.6510 cm^-1
model 32: A 2974.2678 cm^-1
model 33: A 2983.1541 cm^-1
model 34: A 3057.5853 cm^-1
model 35: A 3105.4428 cm^-1
model 36: A 3116.9907 cm^-1
model 37: A 3120.0157 cm^-1
model 38: A 3149.4594 cm^-1
38 models
106 molecular orbitals in model 1.2
Script completed
Jmol script terminated