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__503597429332034__ initializing
Jmol getValue debug null
Jmol getValue logLevel null
Jmol getValue allowjavascript null
AppletRegistry.checkIn(MoleculeDisplay__503597429332034__)
vwrOptions:
{ "name":"MoleculeDisplay","applet":true,"documentBase":"https://webbook.nist.gov/cgi/inchi?Str3View=C2642822&Type=JSmol","platform":"J.awtjs.Platform","fullName":"MoleculeDisplay__503597429332034__","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":"503597429332034","bgcolor":"black" }
setting document base to "https://webbook.nist.gov/cgi/inchi?Str3View=C2642822&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__503597429332034__ ready
script 2 started
FileManager.getAtomSetCollectionFromFile(https://webbook.nist.gov/cgi/inchi?Str3File=C2642822)
FileManager opening url https://webbook.nist.gov/cgi/inchi?Str3File=C2642822
The Resolver thinks Mol
NIST 08031215043D 1 1.00000 -1536.32237
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:"2012-08-03"
cas.number:"2642-82-2"
method:"B3LYP/6-31G*"
dipole.moment:"3.1738 debye"
electronic.energy:"-1536.32237259 hartree"
ir.frequencies:"\"Frequency (cm-1)\" \"Intensity (km/mol)\"\n23.8486 0.2772\n31.5627 0.1591\n40.2332 0.0737\n71.6065 0.4125\n119.6556 2.2211\n131.3703 0.2243\n160.2855 1.2832\n195.5365 9.1324\n220.3891 3.2941\n258.5589 8.3601\n275.4417 58.0050\n287.3326 34.0970\n328.2730 0.1091\n346.8878 0.7195\n352.1234 8.6584\n406.1812 5.8181\n418.5131 0.6674\n421.9346 0.1644\n468.6434 7.6019\n490.4539 27.2664\n527.0192 6.8683\n545.0889 19.8259\n639.7111 4.4742\n647.4829 0.0927\n671.7260 8.1103\n698.1211 5.2250\n731.1062 1.5868\n739.3404 0.8892\n788.0067 36.6072\n835.0042 48.7201\n840.3109 0.6222\n842.3205 1.4138\n845.1110 21.3062\n874.5568 14.9591\n959.7240 0.3085\n963.8775 1.8598\n965.9416 0.3578\n966.8882 0.1930\n1003.3158 29.2130\n1032.1141 34.4669\n1034.7076 33.4781\n1061.0219 10.5520\n1094.6574 78.0079\n1111.6000 53.0410\n1114.2948 46.3484\n1139.0501 3.9730\n1149.9619 5.2413\n1201.8853 7.1993\n1214.6357 0.3892\n1217.8982 4.8957\n1223.0326 0.9123\n1249.6101 6.9027\n1260.0470 11.7566\n1297.0248 23.6437\n1334.9073 0.4112\n1338.4523 0.0742\n1346.0311 0.3935\n1357.4853 6.6442\n1378.6619 13.3583\n1444.6930 7.9356\n1453.3351 7.7458\n1472.7040 3.2842\n1538.2631 72.6341\n1541.7491 64.0040\n1550.1566 4.8527\n1624.9336 0.6571\n1629.3371 2.6712\n1651.6346 7.7402\n1655.3841 4.7354\n2995.0557 40.5177\n3029.7948 22.6567\n3043.2957 50.2262\n3184.3100 9.9751\n3190.7826 9.1352\n3197.4185 6.4610\n3216.4634 2.9085\n3222.5564 6.2380\n3222.7573 4.7299\n3223.4806 1.0622\n3237.7877 3.7350\n3750.7160 22.7144"
rotational.constants:"0.61916 GHz\n0.16967 GHz\n0.14250 GHz"
software:"Gaussian 09, Revision C.01"
contributor:"Alexander Yang"
Time for openFile(https://webbook.nist.gov/cgi/inchi?Str3File=C2642822): 76 ms
reading 29 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
29 atoms created
ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation
Time for creating model: 8 ms
Script completed
Jmol script terminated
__Exporter exportScale: 10
__Exporter exportScale: 10