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__671366494571887__ initializing
Jmol getValue debug null
Jmol getValue logLevel null
Jmol getValue allowjavascript null
AppletRegistry.checkIn(MoleculeDisplay__671366494571887__)
vwrOptions:
{ "name":"MoleculeDisplay","applet":true,"documentBase":"https://webbook.nist.gov/cgi/inchi?Str3View=C108612&Type=JSmol","platform":"J.awtjs.Platform","fullName":"MoleculeDisplay__671366494571887__","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":"671366494571887","bgcolor":"black" }
setting document base to "https://webbook.nist.gov/cgi/inchi?Str3View=C108612&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__671366494571887__ ready
script 2 started
FileManager.getAtomSetCollectionFromFile(https://webbook.nist.gov/cgi/inchi?Str3File=C108612)
FileManager opening url https://webbook.nist.gov/cgi/inchi?Str3File=C108612
The Resolver thinks Mol
NIST 08011214453D 1 1.00000 -462.70693
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:"2012-08-01"
cas.number:"108-61-2"
method:"B3LYP/6-31G*"
dipole.moment:"3.6498 debye"
electronic.energy:"-462.706934468 hartree"
ir.frequencies:"\"Frequency (cm-1)\" \"Intensity (km/mol)\"\n17.7653 0.4885\n67.8919 2.7542\n109.2201 2.9414\n131.0353 2.3476\n183.9336 1.1647\n213.0304 0.6214\n238.9140 2.7554\n243.6263 0.0219\n305.4022 5.3864\n326.5432 107.9589\n333.5131 22.2684\n370.3335 10.6595\n413.1366 27.1614\n462.4925 71.4737\n498.4666 81.1831\n526.0267 9.0703\n650.8339 8.7366\n815.2576 9.7126\n861.2958 4.9089\n905.6774 15.3053\n926.7401 9.0917\n930.7922 4.6565\n1005.0046 33.2389\n1022.8279 16.3569\n1076.1741 112.6024\n1091.3949 118.6603\n1102.2089 1.4956\n1133.7574 60.3148\n1150.4106 2.4417\n1159.9362 62.9248\n1179.1757 46.0641\n1241.0361 11.9565\n1257.8330 25.4721\n1338.2456 5.7881\n1360.0753 42.0744\n1365.3744 21.3823\n1407.4721 0.4443\n1413.7809 22.5317\n1419.4964 10.7834\n1433.1401 9.5598\n1437.6208 10.8279\n1441.6858 30.9053\n1451.2633 55.3745\n1512.5011 0.7892\n1516.3630 4.4703\n1519.0078 5.2406\n1529.2190 1.2043\n1531.6088 1.6722\n1532.1190 2.9230\n2983.3958 33.7795\n3000.7015 67.7267\n3014.6650 56.7521\n3051.9083 16.3547\n3057.6346 20.9350\n3076.5202 22.4886\n3100.2462 27.7565\n3110.6704 14.2651\n3113.0777 49.5475\n3125.5900 39.0728\n3139.9743 20.9932\n3144.0142 20.1733\n3719.5833 24.1946\n3738.3514 12.6870"
rotational.constants:"2.08463 GHz\n0.99114 GHz\n0.87493 GHz"
software:"Gaussian 09, Revision C.01"
contributor:"Daniel Du"
Time for openFile(https://webbook.nist.gov/cgi/inchi?Str3File=C108612): 557 ms
reading 23 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
23 atoms created
ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation
Time for creating model: 9 ms
Script completed
Jmol script terminated
__Exporter exportScale: 10
__Exporter exportScale: 10