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__9330053768718916__ initializing
Jmol getValue debug null
Jmol getValue logLevel null
Jmol getValue allowjavascript null
AppletRegistry.checkIn(MoleculeDisplay__9330053768718916__)
vwrOptions:
{ "name":"MoleculeDisplay","applet":true,"documentBase":"https://webbook.nist.gov/cgi/cbook.cgi?Str3View=C83669&Type=JSmol","platform":"J.awtjs.Platform","fullName":"MoleculeDisplay__9330053768718916__","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":"9330053768718916","bgcolor":"black" }
setting document base to "https://webbook.nist.gov/cgi/cbook.cgi?Str3View=C83669&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__9330053768718916__ ready
script 2 started
FileManager.getAtomSetCollectionFromFile(https://webbook.nist.gov/cgi/cbook.cgi?Str3File=C83669)
FileManager opening url https://webbook.nist.gov/cgi/cbook.cgi?Str3File=C83669
The Resolver thinks Mol
NIST 07021513063D 1 1.00000 -952.32037
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:"2015-07-02"
cas.number:"83-66-9"
method:"B3LYP/6-31G*"
dipole.moment:"4.2781 debye"
electronic.energy:"-952.320365244 hartree"
ir.frequencies:"\"Frequency (cm-1)\" \"Intensity (km/mol)\"\n46.6376 0.1574\n52.8198 0.1462\n63.8418 0.7327\n78.3273 2.7963\n82.0128 2.1371\n91.7977 3.6364\n143.0180 2.2581\n154.8713 2.3382\n168.9808 1.1943\n180.8297 6.3229\n194.4746 0.7657\n205.7840 0.6227\n224.3655 0.9874\n231.8818 1.0066\n255.7444 0.2505\n273.7122 0.0588\n278.6993 0.5278\n306.8299 0.8524\n323.0231 2.7712\n342.2284 0.5223\n349.1598 0.3320\n353.6823 0.0792\n370.0799 0.4025\n405.3484 0.1453\n412.6904 0.9529\n431.2599 1.1637\n476.9158 1.0289\n497.3013 3.8957\n523.6403 3.1834\n580.1403 7.9554\n633.1123 5.1557\n646.1454 11.5876\n680.1780 4.3430\n714.5082 12.2503\n755.6587 3.0159\n762.1280 33.2644\n771.2243 9.9495\n794.9503 1.6641\n828.8030 16.8057\n890.0838 19.7518\n927.1417 18.1681\n936.0770 2.4618\n947.4042 6.3398\n948.0539 1.6904\n975.9338 0.0158\n994.1691 11.9161\n1053.2524 18.5483\n1063.3637 0.0331\n1065.9402 0.7993\n1070.5783 28.5588\n1096.4550 67.1051\n1173.1250 17.5254\n1181.1371 9.6233\n1219.6335 3.5871\n1237.9582 2.8333\n1239.9179 0.9537\n1260.6686 18.0469\n1284.6977 71.4561\n1305.0062 173.9731\n1348.5930 14.9446\n1386.5105 417.9962\n1407.8911 80.0761\n1421.7899 16.4210\n1424.3133 62.6520\n1426.9191 5.3823\n1449.5412 9.5030\n1457.7547 5.2137\n1479.3636 82.8700\n1502.3038 14.3169\n1510.7240 0.0406\n1513.3504 13.6869\n1518.9456 31.4032\n1524.0189 11.9956\n1526.4157 1.9819\n1528.1458 7.6186\n1537.4359 7.4434\n1541.7193 2.8136\n1545.9768 33.3303\n1557.7601 8.7687\n1589.1285 19.6684\n1625.3098 175.0244\n1639.9065 99.2884\n1661.5378 179.8609\n3047.3797 14.2493\n3052.0077 30.6365\n3057.5638 29.8652\n3070.9676 37.2679\n3088.0865 3.5742\n3110.5660 5.8894\n3111.9327 13.0053\n3117.6159 35.5130\n3122.7732 62.4879\n3154.2149 7.2549\n3157.5383 17.3492\n3162.7125 4.4883\n3164.3169 7.6475\n3165.9547 22.7039\n3181.9586 6.1883\n3279.1514 3.1760"
rotational.constants:"0.41946 GHz\n0.37673 GHz\n0.21686 GHz"
software:"Gaussian 09, Revision D.01"
contributor:"Daniel Graham"
Time for openFile(https://webbook.nist.gov/cgi/cbook.cgi?Str3File=C83669): 74 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