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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__2587255132348205__ initializing
Jmol getValue debug null
Jmol getValue logLevel null
Jmol getValue allowjavascript null
AppletRegistry.checkIn(MoleculeDisplay__2587255132348205__)
vwrOptions:
{ "name":"MoleculeDisplay","applet":true,"documentBase":"https://webbook.nist.gov/cgi/cbook.cgi?Str3View=C85807858&Type=JSmol","platform":"J.awtjs.Platform","fullName":"MoleculeDisplay__2587255132348205__","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":"2587255132348205","bgcolor":"black" }
setting document base to "https://webbook.nist.gov/cgi/cbook.cgi?Str3View=C85807858&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__2587255132348205__ ready
script 2 started
FileManager.getAtomSetCollectionFromFile(https://webbook.nist.gov/cgi/cbook.cgi?Str3File=C85807858)
FileManager opening url https://webbook.nist.gov/cgi/cbook.cgi?Str3File=C85807858
The Resolver thinks Mol
NIST 07021513173D 1 1.00000 -719.76277
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:"85807-85-8"
method:"B3LYP/6-31G*"
dipole.moment:"1.1504 debye"
electronic.energy:"-719.762765006 hartree"
ir.frequencies:"\"Frequency (cm-1)\" \"Intensity (km/mol)\"\n16.6334 0.0139\n37.6989 0.4197\n40.6229 0.8771\n68.0764 0.6191\n112.8785 0.3497\n135.1188 0.1896\n138.1829 0.0127\n157.6939 0.0489\n160.3862 0.5929\n201.3404 0.3654\n228.3032 3.0357\n236.5866 2.8298\n242.5152 1.3668\n251.1761 0.7547\n283.3868 0.9492\n288.9175 0.6665\n309.9691 7.0173\n324.4389 2.3142\n385.8591 6.2808\n389.3183 0.1935\n392.8227 1.9054\n428.7735 5.0536\n558.7956 0.3865\n614.9001 10.0242\n666.0343 12.7020\n682.5860 8.3807\n754.0587 0.0171\n790.6548 29.5900\n795.6682 72.6473\n830.2004 3.9397\n869.9731 185.8876\n885.6199 132.1844\n940.3207 11.5438\n949.1969 43.7253\n955.4703 5.6427\n958.0764 5.2279\n974.5195 0.1468\n995.5148 3.2309\n1036.5553 33.3148\n1041.8944 7.4168\n1046.9766 4.3077\n1108.4687 403.2478\n1183.9571 3.4151\n1226.3002 0.0015\n1228.5219 1.4196\n1252.0795 0.2066\n1284.2207 1.3522\n1325.5310 28.1267\n1326.6226 12.3410\n1332.3037 31.7785\n1408.0181 41.3088\n1424.9106 2.1959\n1426.9338 1.9366\n1457.5915 3.1283\n1480.5354 16.1839\n1489.7586 0.0326\n1492.4143 0.6798\n1499.5972 8.8864\n1502.7739 4.7647\n1516.6405 0.1246\n1519.3221 0.1598\n1520.7352 0.2872\n1533.3241 2.4547\n1536.4708 3.3190\n1539.0826 5.9137\n1547.4112 14.9547\n1737.4087 1.2011\n2982.0449 47.7019\n3019.6890 28.4686\n3021.0454 26.4409\n3027.2324 69.2641\n3029.9363 30.2723\n3042.5182 6.4958\n3044.7584 3.5661\n3079.0988 5.8026\n3081.2320 24.7187\n3085.4560 75.6745\n3099.0883 36.0038\n3109.1732 3.8784\n3111.6496 29.1203\n3114.5292 10.7474\n3117.9538 50.5650\n3121.8857 11.3198\n3123.4204 10.8771\n3154.9434 15.1838\n3168.3579 6.2404\n3237.0655 19.4112"
rotational.constants:"1.37888 GHz\n0.52661 GHz\n0.48581 GHz"
software:"Gaussian 09, Revision D.01"
contributor:"Daniel Graham"
Time for openFile(https://webbook.nist.gov/cgi/cbook.cgi?Str3File=C85807858): 371 ms
reading 31 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
31 atoms created
ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation
Time for creating model: 9 ms
Script completed
Jmol script terminated
__Exporter exportScale: 10
__Exporter exportScale: 10