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loadScript ../packages/jsmol/j2s/core/corejmol.z.js
loadScript ../packages/jsmol/j2s/J/translation/PO.js
loadScript ../packages/jsmol/j2s/core/corescript.z.js
JSmol exec MoleculeDisplay load JSExporter J.export.JSExporter
loadScript ../packages/jsmol/j2s/J/export/JSExporter.js
loadScript ../packages/jsmol/j2s/J/export/___Exporter.js
loadScript ../packages/jsmol/j2s/J/export/Export3D.js
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loadScript ../packages/jsmol/j2s/J/g3d/HermiteRenderer.js
loadScript ../packages/jsmol/j2s/J/export/UseTable.js
JSmol exec MoleculeDisplay start applet null
Jmol JavaScript applet MoleculeDisplay__04292374531058574__ initializing
Jmol getValue debug null
Jmol getValue logLevel null
Jmol getValue allowjavascript null
AppletRegistry.checkIn(MoleculeDisplay__04292374531058574__)
vwrOptions:
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setting document base to "https://webbook.nist.gov/cgi/inchi?Str3View=C88038942&Type=JSmol"
(C) 2015 Jmol Development
Jmol Version: 14.29.53 2019-08-18 15:32
java.vendor: Java2Script (WebGL)
java.version: 2019-06-08 00:17:46 (JSmol/j2s)
os.name: Mozilla/5.0 AppleWebKit/537.36 (KHTML, like Gecko; compatible; ClaudeBot/1.0; +claudebot@anthropic.com)
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memory: 0.0/0.0
processors available: 1
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Jmol getValue emulate null
defaults = "Jmol"
Jmol getValue boxbgcolor null
Jmol getValue bgcolor black
backgroundColor = "black"
Jmol getValue ANIMFRAMECallback null
Jmol getValue APPLETREADYCallback Jmol._readyCallback
APPLETREADYCallback = "Jmol._readyCallback"
StatusManager callback set for APPLETREADYCallback f=Jmol._readyCallback cb=APPLETREADY
Jmol getValue ATOMMOVEDCallback null
Jmol getValue AUDIOCallback null
Jmol getValue CLICKCallback null
Jmol getValue DRAGDROPCallback null
Jmol getValue ECHOCallback null
Jmol getValue ERRORCallback null
Jmol getValue EVALCallback null
Jmol getValue HOVERCallback null
Jmol getValue IMAGECallback null
Jmol getValue LOADSTRUCTCallback null
Jmol getValue MEASURECallback null
Jmol getValue MESSAGECallback null
Jmol getValue MINIMIZATIONCallback null
Jmol getValue SERVICECallback null
Jmol getValue PICKCallback null
Jmol getValue RESIZECallback null
Jmol getValue SCRIPTCallback null
Jmol getValue SYNCCallback null
Jmol getValue STRUCTUREMODIFIEDCallback null
Jmol getValue doTranslate null
language=en_US
Jmol getValue popupMenu null
Jmol getValue script ;set multipleBondSpacing 0.35;
Jmol getValue loadInline null
Jmol getValue load null
script 1 started
multipleBondSpacing = 0.35
Script completed
Jmol script terminated
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loadScript ../packages/jsmol/j2s/JU/XmlUtil.js
Jmol applet MoleculeDisplay__04292374531058574__ ready
script 2 started
FileManager.getAtomSetCollectionFromFile(https://webbook.nist.gov/cgi/inchi?Str3File=C88038942)
FileManager opening url https://webbook.nist.gov/cgi/inchi?Str3File=C88038942
The Resolver thinks Mol
[1,1'-Biphenyl]-4-carboxylic acid, 4'-propyl-
NIST 06261315303D 1 1.00000 -769.82581
Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved.
[1,1'-Biphenyl]-4-carboxylic acid, 4'-propyl-
copyright:"Collection (C) 2016 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved."
date:"2013-06-26"
cas.number:"88038-94-2"
synonyms:"[1,1'-Biphenyl]-4-carboxylic acid, 4'-propyl-\n4-Propylbiphenyl-4'-carboxylic acid"
method:"B3LYP/6-31G*"
dipole.moment:"2.8213 debye"
electronic.energy:"-769.825807327 hartree"
ir.frequencies:"\"Frequency (cm-1)\" \"Intensity (km/mol)\"\n28.1133 0.0850\n32.8586 0.0497\n54.3193 0.7061\n62.7410 0.1560\n82.4450 0.0814\n85.8353 0.3154\n103.9029 0.2068\n159.6431 0.0354\n198.0799 0.7361\n214.1434 0.4069\n245.4939 0.0153\n266.2290 0.3694\n317.6891 0.6191\n327.5652 1.9307\n376.8062 1.5315\n416.8731 0.6399\n423.0044 0.4030\n428.1430 2.4226\n455.7576 14.2156\n507.6366 13.2790\n522.6798 13.7973\n566.4926 3.9171\n615.4606 51.4965\n624.5987 28.3202\n646.6088 0.0478\n659.8517 0.1655\n692.3205 29.0384\n722.9400 37.8915\n749.4192 16.7838\n753.0857 2.3956\n782.0777 50.0190\n796.5349 18.3388\n829.3772 12.7361\n853.7429 19.8462\n855.6429 0.9807\n865.1356 1.6938\n882.2882 7.1159\n887.8311 0.2798\n909.8364 0.2771\n965.5554 0.7186\n971.3328 0.1013\n981.6724 0.3060\n995.5026 0.2805\n1023.1703 15.6506\n1039.3941 1.9860\n1047.6273 0.3983\n1055.7942 3.0077\n1094.6501 0.3225\n1119.1919 27.1827\n1120.7678 140.4809\n1147.9535 0.4818\n1157.5247 4.8196\n1204.2778 258.3206\n1220.6324 31.4855\n1232.3759 63.0250\n1240.2595 19.5807\n1262.8669 0.3402\n1315.0245 2.7420\n1316.9691 0.7805\n1328.5807 7.0892\n1333.6594 0.5065\n1349.0234 4.1535\n1355.7744 1.3973\n1369.1527 0.0643\n1395.2013 197.1278\n1400.5839 2.0357\n1440.7683 0.3167\n1444.3849 23.1689\n1468.8579 8.2800\n1514.5505 1.3072\n1524.2971 0.0172\n1529.0569 6.3893\n1540.0250 4.2280\n1548.1790 11.9221\n1570.9116 6.2371\n1605.6715 6.2717\n1627.3747 3.0874\n1664.4061 122.4665\n1672.4084 10.7972\n1817.8503 376.9828\n3031.0364 9.0365\n3040.6303 16.9057\n3044.0040 81.2454\n3059.7313 0.3820\n3081.0029 16.2260\n3109.0991 59.1984\n3114.2606 38.4075\n3175.5925 13.4835\n3175.9277 27.1970\n3196.9712 11.5225\n3198.9436 4.6836\n3203.7440 16.7761\n3204.7624 5.2012\n3226.6538 3.8903\n3231.4118 3.0740\n3701.0050 87.7130"
rotational.constants:"1.91171 GHz\n0.12864 GHz\n0.12384 GHz"
software:"Gaussian 09, Revision D.01"
contributor:"Jennifer Skerritt"
Time for openFile(https://webbook.nist.gov/cgi/inchi?Str3File=C88038942): 100 ms
reading 34 atoms
ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false
1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them.
Default Van der Waals type for model set to Babel
34 atoms created
ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation
Time for creating model: 7 ms
[1,1'-Biphenyl]-4-carboxylic acid, 4'-propyl-
Script completed
Jmol script terminated
__Exporter exportScale: 10
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