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__941294337513137__ initializing
Jmol getValue debug null
Jmol getValue logLevel null
Jmol getValue allowjavascript null
AppletRegistry.checkIn(MoleculeDisplay__941294337513137__)
vwrOptions:
{ "name":"MoleculeDisplay","applet":true,"documentBase":"https://webbook.nist.gov/cgi/inchi?Str3View=U314741&Type=JSmol","platform":"J.awtjs.Platform","fullName":"MoleculeDisplay__941294337513137__","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":"941294337513137","bgcolor":"black" }
setting document base to "https://webbook.nist.gov/cgi/inchi?Str3View=U314741&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__941294337513137__ ready
script 2 started
FileManager.getAtomSetCollectionFromFile(https://webbook.nist.gov/cgi/inchi?Str3File=U314741)
FileManager opening url https://webbook.nist.gov/cgi/inchi?Str3File=U314741
The Resolver thinks Mol
NIST 07251414093D 1 1.00000 -672.75505
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:"2014-07-25"
webbook.id:"U314741"
method:"B3LYP/6-31G*"
dipole.moment:"1.8860 debye"
electronic.energy:"-672.755050599 hartree"
ir.frequencies:"\"Frequency (cm-1)\" \"Intensity (km/mol)\"\n20.9709 0.0444\n32.9531 0.2456\n37.1241 0.3435\n57.9668 5.3825\n62.7172 0.1718\n78.6308 0.0822\n120.4544 1.4906\n209.4493 1.0211\n221.4703 1.2636\n233.7878 0.3136\n249.8919 3.9001\n254.1485 0.6696\n263.5792 2.6752\n322.7893 7.1734\n330.5081 1.4078\n377.7942 1.4533\n402.5090 2.1554\n423.3223 13.2858\n449.8382 3.6420\n530.3631 2.4803\n560.5579 69.4036\n578.7278 10.4397\n580.2108 5.5003\n643.0358 0.0840\n705.8153 11.1222\n737.5858 7.9442\n744.5758 17.3134\n765.1432 1.2574\n787.5584 35.2712\n800.9395 2.7816\n876.4129 0.0508\n917.7869 9.3805\n924.0305 2.2282\n939.9939 15.8194\n959.0835 14.1619\n961.2323 0.2720\n975.3228 4.0932\n983.5222 4.0274\n992.3586 4.3629\n1014.0585 4.7818\n1042.9692 29.8016\n1075.7038 84.9952\n1076.7437 99.3143\n1134.0557 4.7094\n1140.1420 46.3314\n1189.5492 1.7963\n1202.1513 48.7038\n1205.2202 16.3143\n1221.8734 10.3676\n1238.9249 583.1693\n1298.7690 7.0140\n1314.5803 23.0685\n1340.0978 52.7005\n1369.2480 12.2332\n1373.1664 1.5680\n1383.6994 6.4641\n1420.3775 7.5312\n1429.9495 7.2012\n1442.5038 0.3348\n1453.1025 19.4293\n1483.6963 151.8115\n1515.7191 29.7777\n1516.2863 9.3945\n1518.1025 6.2254\n1520.1861 32.0683\n1527.4938 1.9955\n1537.7366 14.4101\n1539.6367 10.7903\n1542.5047 10.1013\n1586.0631 529.8320\n1653.5339 124.7682\n1667.1842 27.9718\n1819.9609 215.7877\n3014.4778 24.5783\n3043.6473 28.7931\n3046.0576 29.0525\n3052.2665 16.6303\n3076.4755 50.0650\n3099.8904 20.5784\n3111.1473 35.4977\n3114.8526 12.6606\n3121.9709 68.3674\n3125.0373 23.5704\n3126.1838 18.1727\n3145.4628 8.5527\n3170.3787 10.0012\n3184.9939 18.9141\n3202.7309 26.8410\n3253.2242 2.5966\n3616.2222 26.8139"
rotational.constants:"1.44097 GHz\n0.24715 GHz\n0.22718 GHz"
software:"Gaussian 09, Revision D.01"
contributor:"Emily Jin"
Time for openFile(https://webbook.nist.gov/cgi/inchi?Str3File=U314741): 157 ms
reading 32 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
32 atoms created
ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation
Time for creating model: 12 ms
Script completed
Jmol script terminated
__Exporter exportScale: 10
__Exporter exportScale: 10