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__005675256231517__ initializing
Jmol getValue debug null
Jmol getValue logLevel null
Jmol getValue allowjavascript null
AppletRegistry.checkIn(MoleculeDisplay__005675256231517__)
vwrOptions:
{ "name":"MoleculeDisplay","applet":true,"documentBase":"https://webbook.nist.gov/cgi/inchi?Str3View=R235995&Type=JSmol","platform":"J.awtjs.Platform","fullName":"MoleculeDisplay__005675256231517__","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":"005675256231517","bgcolor":"black" }
setting document base to "https://webbook.nist.gov/cgi/inchi?Str3View=R235995&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__005675256231517__ ready
script 2 started
FileManager.getAtomSetCollectionFromFile(https://webbook.nist.gov/cgi/inchi?Str3File=R235995)
FileManager opening url https://webbook.nist.gov/cgi/inchi?Str3File=R235995
The Resolver thinks Mol
NIST 06251419453D 1 1.00000 -620.74979
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:"2014-06-25"
webbook.id:"R235995"
method:"B3LYP/6-31G*"
dipole.moment:"4.2737 debye"
electronic.energy:"-620.749788327 hartree"
ir.frequencies:"\"Frequency (cm-1)\" \"Intensity (km/mol)\"\n47.9140 1.4225\n90.9724 0.0445\n123.6643 0.8823\n164.4472 1.5110\n199.8257 0.3369\n208.0884 0.2209\n221.4897 0.0934\n243.4513 1.3027\n258.5193 0.7084\n264.8673 1.0971\n267.0186 0.6001\n287.6210 1.1330\n299.8948 0.6549\n313.8211 0.3990\n325.3415 2.3084\n327.8023 4.7064\n379.3655 0.5056\n399.7350 0.4735\n421.2761 2.5309\n465.2889 1.1874\n468.1139 3.1592\n528.8177 1.5800\n565.2004 2.2714\n631.2120 0.7435\n642.6386 1.1490\n671.7523 3.0290\n718.4219 3.1941\n742.9010 1.0458\n756.6786 7.0084\n827.7642 1.7385\n844.6941 4.0201\n879.1680 2.3523\n895.6049 3.5565\n903.0465 5.3319\n920.4164 23.5040\n946.9144 2.1175\n963.8168 0.7026\n970.9606 2.3577\n994.4108 2.7841\n1010.0193 1.5583\n1021.6912 1.1379\n1038.8056 2.4428\n1049.9115 2.5048\n1082.2026 2.3195\n1100.4581 7.8328\n1109.6988 3.7463\n1144.0961 1.9595\n1175.9105 78.5141\n1197.1771 5.0180\n1221.0862 12.8160\n1232.0884 14.5028\n1244.8256 8.7883\n1252.8853 1.3679\n1266.5518 32.4746\n1294.6638 8.6043\n1350.2939 25.6794\n1358.4585 0.0208\n1385.6243 1.7047\n1389.6740 2.6677\n1403.9282 3.7617\n1406.6127 1.8532\n1423.2478 1.7733\n1434.7877 8.1082\n1445.2942 1.6359\n1447.7078 10.5708\n1502.1207 3.2016\n1507.6217 0.5969\n1511.5227 7.2063\n1515.2713 2.6159\n1519.0635 1.6600\n1523.4916 6.8302\n1526.6882 5.2323\n1527.5066 9.1711\n1529.7667 1.1962\n1539.8605 5.2908\n1545.5749 6.4968\n1653.9219 68.4445\n1702.2223 35.7491\n1756.9777 261.3901\n3009.3129 26.7371\n3030.0578 13.4989\n3043.1672 19.1681\n3044.1378 20.7301\n3046.2878 10.1214\n3049.3907 30.6570\n3052.8757 19.5646\n3055.2082 63.1246\n3066.2909 27.2049\n3091.7805 31.8373\n3096.0251 18.3588\n3112.9701 14.3089\n3115.5119 12.3307\n3116.1678 41.6424\n3129.9306 15.5882\n3131.7858 27.2420\n3144.9022 26.2201\n3145.3407 15.6615\n3158.6873 30.4407\n3204.2341 8.8261"
rotational.constants:"0.98327 GHz\n0.48897 GHz\n0.39900 GHz"
software:"Gaussian 09, Revision D.01"
contributor:"Sonia Dermer"
Time for openFile(https://webbook.nist.gov/cgi/inchi?Str3File=R235995): 359 ms
reading 35 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
35 atoms created
ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation
Time for creating model: 7 ms
Script completed
Jmol script terminated
__Exporter exportScale: 10
__Exporter exportScale: 10