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__3672033938699184__ initializing
Jmol getValue debug null
Jmol getValue logLevel null
Jmol getValue allowjavascript null
AppletRegistry.checkIn(MoleculeDisplay__3672033938699184__)
vwrOptions:
{ "name":"MoleculeDisplay","applet":true,"documentBase":"https://webbook.nist.gov/cgi/cbook.cgi?Str3View=C111228&Type=JSmol","platform":"J.awtjs.Platform","fullName":"MoleculeDisplay__3672033938699184__","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":"3672033938699184","bgcolor":"black" }
setting document base to "https://webbook.nist.gov/cgi/cbook.cgi?Str3View=C111228&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__3672033938699184__ ready
script 2 started
FileManager.getAtomSetCollectionFromFile(https://webbook.nist.gov/cgi/cbook.cgi?Str3File=C111228)
FileManager opening url https://webbook.nist.gov/cgi/cbook.cgi?Str3File=C111228
The Resolver thinks Mol
NIST 07071502213D 1 1.00000 -946.84226
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:"2015-07-07"
cas.number:"111-22-8"
method:"B3LYP/6-31G*"
dipole.moment:"3.5749 debye"
electronic.energy:"-946.842263382 hartree"
ir.frequencies:"\"Frequency (cm-1)\" \"Intensity (km/mol)\"\n12.5960 1.4303\n22.1018 2.0877\n30.7277 2.6400\n45.8857 0.3047\n53.6257 0.2406\n71.1034 0.0822\n81.7324 0.2619\n85.9333 0.0518\n102.1280 0.3255\n129.8942 0.0624\n157.8204 0.4994\n159.0728 11.1085\n174.3349 2.6609\n276.5186 0.9194\n279.1288 0.0688\n375.6134 3.7533\n377.7872 0.0119\n398.5759 0.1064\n427.7688 13.4394\n527.3235 0.1169\n534.5597 7.4920\n590.7675 3.8455\n592.2963 2.5586\n641.6326 63.9135\n645.8481 3.7650\n755.8437 28.5817\n756.0518 1.9341\n846.2260 0.4544\n852.6014 202.0432\n854.9934 8.2630\n878.4731 207.7392\n899.7084 10.3315\n934.2942 41.4675\n936.3992 10.7808\n1042.6205 39.2951\n1048.2555 97.9495\n1063.6382 94.0865\n1073.8082 3.2332\n1113.6048 0.1005\n1147.0558 4.5042\n1167.3447 0.5127\n1182.9605 0.0919\n1184.5501 9.0413\n1189.5612 407.9535\n1245.2692 3.7854\n1279.1199 1.4059\n1280.5122 15.7619\n1312.7930 0.9015\n1317.1196 21.9580\n1320.0066 0.1143\n1341.2513 328.3982\n1341.7789 3.0284\n1367.5864 129.4014\n1417.2214 0.2036\n1422.1506 42.4239\n1430.2922 0.4142\n1454.0897 11.4679\n1487.6344 3.0254\n1494.6008 21.0018\n1495.3863 20.7822\n1532.3285 0.0244\n1533.4151 24.5657\n1557.6153 0.7775\n1564.9027 1.9603\n1768.0232 11.1439\n1769.3166 645.8691\n2982.2237 69.6994\n2982.7026 11.8410\n3003.0889 5.0976\n3008.0169 89.7576\n3022.6884 9.2608\n3023.0455 79.7883\n3030.0391 0.0257\n3054.9880 81.2308\n3103.5877 33.2708\n3103.6277 7.5309\n3169.7694 1.6951\n3169.7984 3.5015"
rotational.constants:"1.03471 GHz\n0.15978 GHz\n0.15451 GHz"
software:"Gaussian 09, Revision D.01"
contributor:"Ashley Zhang"
Time for openFile(https://webbook.nist.gov/cgi/cbook.cgi?Str3File=C111228): 117 ms
reading 28 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
28 atoms created
ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation
Time for creating model: 10 ms
Script completed
Jmol script terminated
__Exporter exportScale: 10
__Exporter exportScale: 10