loadScript ../packages/jsmol/j2s/core/package.js
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
loadScript ../packages/jsmol/j2s/J/export/__CartesianExporter.js
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__777668319683164__ initializing
Jmol getValue debug null
Jmol getValue logLevel null
Jmol getValue allowjavascript null
AppletRegistry.checkIn(MoleculeDisplay__777668319683164__)
vwrOptions:
{ "name":"MoleculeDisplay","applet":true,"documentBase":"https://webbook.nist.gov/cgi/inchi?Str3View=C27693374&Type=JSmol","platform":"J.awtjs.Platform","fullName":"MoleculeDisplay__777668319683164__","codePath":"https://webbook.nist.gov/cgi/../packages/jsmol/j2s/","signedApplet":"true","appletReadyCallback":"Jmol._readyCallback","statusListener":"[J.appletjs.Jmol object]","script":";set multipleBondSpacing 0.35;","syncId":"777668319683164","bgcolor":"black" }
setting document base to "https://webbook.nist.gov/cgi/inchi?Str3View=C27693374&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)
Access: ALL
memory: 0.0/0.0
processors available: 1
useCommandThread: false
appletId:MoleculeDisplay (signed)
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
loadScript ../packages/jsmol/j2s/core/coreprop.z.js
loadScript ../packages/jsmol/j2s/JU/XmlUtil.js
Jmol applet MoleculeDisplay__777668319683164__ ready
script 2 started
FileManager.getAtomSetCollectionFromFile(https://webbook.nist.gov/cgi/inchi?Str3File=C27693374)
FileManager opening url https://webbook.nist.gov/cgi/inchi?Str3File=C27693374
The Resolver thinks Mol
NIST 07061521303D 1 1.00000 -797.16335
Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved.
copyright:"Collection (C) 2016 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved."
date:"2015-07-06"
cas.number:"27693-37-4"
method:"B3LYP/6-31G*"
dipole.moment:"3.5600 debye"
electronic.energy:"-797.163347720 hartree"
ir.frequencies:"\"Frequency (cm-1)\" \"Intensity (km/mol)\"\n30.4110 2.0021\n47.7983 3.1079\n64.8019 2.3363\n104.1791 0.2910\n122.6665 0.0475\n144.4406 0.9603\n182.2944 3.2900\n224.1485 9.4559\n265.1913 0.3264\n291.2000 1.4282\n354.4962 5.6957\n408.8165 1.5912\n419.1613 4.9794\n428.2458 2.1329\n458.5594 3.5812\n461.6627 0.4067\n553.0957 1.7983\n593.8187 0.8731\n630.7446 13.8075\n658.3623 23.1990\n682.1182 13.4646\n706.7112 8.0646\n723.7130 45.1486\n751.7373 9.2557\n762.6814 12.1172\n775.8310 28.6401\n804.4346 10.2844\n835.7956 8.2762\n868.2352 24.6979\n901.2383 2.0600\n929.7406 0.6652\n956.7444 80.3978\n973.3213 2.7551\n986.5612 0.2470\n1000.8971 1.6613\n1015.7491 10.3568\n1018.7120 0.0930\n1069.6795 0.9109\n1072.9874 1.5498\n1102.2923 3.4634\n1121.7180 10.8007\n1175.7974 7.2391\n1181.2816 1.2965\n1190.2600 11.1508\n1198.5040 1.9264\n1282.3095 88.4817\n1310.6057 61.8794\n1326.5757 13.8397\n1344.3437 41.5291\n1366.8461 12.5980\n1403.2535 241.6385\n1479.1134 7.0790\n1484.6609 12.2988\n1514.1125 2.8204\n1522.2979 3.5143\n1620.4485 115.3523\n1631.0434 6.5157\n1634.8073 117.5189\n1639.1556 3.7518\n1670.7922 25.3792\n1770.2745 151.5640\n3180.0223 15.2661\n3200.0770 2.5233\n3200.1039 11.2519\n3215.0485 10.2514\n3217.7608 19.5229\n3223.5907 9.9692\n3238.7277 2.3071\n3248.7712 1.4730"
rotational.constants:"0.83963 GHz\n0.37275 GHz\n0.31991 GHz"
software:"Gaussian 09, Revision D.01"
contributor:"Avi Newman"
Time for openFile(https://webbook.nist.gov/cgi/inchi?Str3File=C27693374): 709 ms
reading 25 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
25 atoms created
ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation
Time for creating model: 12 ms
Script completed
Jmol script terminated
__Exporter exportScale: 10
__Exporter exportScale: 10