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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__5258681483531844__ initializing
Jmol getValue debug null
Jmol getValue logLevel null
Jmol getValue allowjavascript null
AppletRegistry.checkIn(MoleculeDisplay__5258681483531844__)
vwrOptions:
{ "name":"MoleculeDisplay","applet":true,"documentBase":"https://webbook.nist.gov/cgi/cbook.cgi?Str3View=C54345607&Type=JSmol","platform":"J.awtjs.Platform","fullName":"MoleculeDisplay__5258681483531844__","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":"5258681483531844","bgcolor":"black" }
setting document base to "https://webbook.nist.gov/cgi/cbook.cgi?Str3View=C54345607&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__5258681483531844__ ready
script 2 started
FileManager.getAtomSetCollectionFromFile(https://webbook.nist.gov/cgi/cbook.cgi?Str3File=C54345607)
FileManager opening url https://webbook.nist.gov/cgi/cbook.cgi?Str3File=C54345607
The Resolver thinks Mol
NIST 08031214523D 1 1.00000 -464.64613
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:"54345-60-7"
method:"B3LYP/6-31G*"
dipole.moment:"1.6783 debye"
electronic.energy:"-464.646126390 hartree"
ir.frequencies:"\"Frequency (cm-1)\" \"Intensity (km/mol)\"\n81.8355 0.3140\n131.4525 0.6825\n192.4870 1.4955\n221.8778 0.1094\n268.5913 4.0448\n278.2644 0.0851\n298.7216 1.7767\n325.1686 0.3834\n344.4144 0.8531\n360.9700 2.5884\n373.1368 1.2738\n433.8465 0.9119\n457.5036 2.0934\n506.7526 0.9376\n535.9703 10.1125\n603.0373 1.2846\n616.2993 7.3973\n704.8648 7.4595\n761.2059 9.5943\n801.5360 7.4100\n831.7291 7.8573\n855.8150 16.1074\n895.1288 1.7071\n908.5983 0.4378\n918.6437 40.0145\n953.3828 6.0827\n965.1776 0.5976\n975.0059 3.9776\n996.0775 1.1801\n1016.7882 11.6532\n1022.5565 12.3269\n1044.8945 0.2908\n1126.3238 10.2262\n1140.3051 6.2360\n1162.8884 1.2313\n1177.8123 0.3021\n1199.1281 2.0409\n1239.7923 1.9909\n1259.0893 2.1152\n1297.3590 11.4387\n1324.8620 0.5206\n1380.7318 3.1097\n1400.0186 4.0884\n1425.1912 7.0976\n1436.1340 2.5561\n1449.2700 7.6806\n1480.3694 9.1071\n1496.9799 1.9962\n1521.1099 3.9010\n1523.7162 0.2067\n1533.2056 3.3687\n1546.5226 11.0636\n1559.6848 0.8770\n1684.1894 2.2974\n1722.2025 7.5177\n3016.3275 24.2811\n3046.9587 12.1115\n3049.3513 15.1051\n3053.7652 45.6882\n3105.9779 0.2442\n3111.0305 41.4161\n3122.8492 32.5573\n3136.7165 20.7065\n3138.1463 15.5428\n3162.6505 2.0042\n3169.8155 8.2647\n3184.2850 37.8550\n3198.7743 25.7721\n3252.0979 11.4930"
rotational.constants:"1.43498 GHz\n1.24766 GHz\n0.92412 GHz"
software:"Gaussian 09, Revision C.01"
contributor:"Jeffrey Qiu"
Time for openFile(https://webbook.nist.gov/cgi/cbook.cgi?Str3File=C54345607): 718 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: 7 ms
Script completed
Jmol script terminated
__Exporter exportScale: 10
__Exporter exportScale: 10