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__55327499316478734__ initializing
Jmol getValue debug null
Jmol getValue logLevel null
Jmol getValue allowjavascript null
AppletRegistry.checkIn(MoleculeDisplay__55327499316478734__)
vwrOptions:
{ "name":"MoleculeDisplay","applet":true,"documentBase":"https://webbook.nist.gov/cgi/inchi?Str3View=C5118296&Type=JSmol","platform":"J.awtjs.Platform","fullName":"MoleculeDisplay__55327499316478734__","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":"55327499316478734","bgcolor":"black" }
setting document base to "https://webbook.nist.gov/cgi/inchi?Str3View=C5118296&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__55327499316478734__ ready
script 2 started
FileManager.getAtomSetCollectionFromFile(https://webbook.nist.gov/cgi/inchi?Str3File=C5118296)
FileManager opening url https://webbook.nist.gov/cgi/inchi?Str3File=C5118296
The Resolver thinks Mol
NIST 07081516183D 1 1.00000 -870.03146
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:"2015-07-08"
cas.number:"5118-29-6"
method:"B3LYP/6-31G*"
dipole.moment:"0.5683 debye"
electronic.energy:"-870.031455666 hartree"
ir.frequencies:"\"Frequency (cm-1)\" \"Intensity (km/mol)\"\n25.6975 0.0144\n36.5289 0.1929\n49.0811 0.0070\n58.7799 0.1406\n102.5576 0.0863\n117.1848 0.0491\n126.6662 1.0599\n136.5743 0.2731\n168.4904 0.1073\n186.5110 0.5219\n198.4555 0.1991\n232.1114 0.4361\n248.6943 0.4966\n248.7678 0.6749\n263.3211 0.3411\n290.1902 0.0939\n303.1229 0.1057\n309.6479 2.9945\n328.2716 0.9119\n360.4392 0.3640\n374.6392 2.5201\n385.0669 0.9799\n393.7604 0.2955\n407.3268 1.5188\n414.3669 0.3596\n443.5571 0.6960\n463.0144 1.3193\n479.6238 3.0234\n494.7131 6.6343\n526.2295 0.3199\n544.3653 1.6013\n584.2059 10.6491\n602.4498 2.9444\n619.9397 0.5732\n651.4851 5.7023\n665.3155 1.8713\n693.0343 0.9519\n752.6982 2.3988\n766.0610 4.5981\n770.1878 3.7116\n779.3354 56.8726\n794.9821 6.2300\n801.4035 3.3701\n813.2188 1.7543\n861.6033 14.1222\n884.0055 6.5379\n888.3016 0.8368\n895.3824 7.0761\n921.0802 1.9255\n930.2558 0.9486\n949.4645 0.5645\n954.9633 3.4117\n964.0348 0.5540\n981.1960 0.1409\n983.6887 0.3444\n1030.0609 0.5982\n1038.4972 0.0047\n1050.3069 30.5705\n1070.8240 34.5596\n1073.7335 13.6669\n1078.4263 5.1480\n1081.1351 33.7563\n1099.1966 2.6459\n1110.6944 1.9132\n1128.4744 3.4987\n1135.6458 5.9525\n1139.2518 4.0155\n1156.2767 0.5891\n1177.4150 0.2843\n1182.9280 7.8390\n1198.7591 0.1995\n1199.7936 0.9627\n1205.4365 0.8453\n1210.9690 10.9320\n1251.0475 2.4042\n1264.4709 5.5503\n1267.6631 4.0441\n1292.5199 4.3790\n1311.0976 23.1140\n1317.5042 2.5987\n1320.3614 1.7083\n1338.9931 7.1574\n1340.4470 8.1136\n1352.6552 2.0297\n1361.6345 8.0979\n1410.9962 6.2260\n1420.7328 3.0186\n1430.1469 27.3421\n1445.1264 4.3998\n1469.3780 2.6326\n1495.3039 14.6866\n1497.7391 1.1680\n1498.6596 0.0811\n1508.1139 2.7857\n1510.9703 21.0507\n1515.1627 10.3122\n1516.3569 7.4737\n1516.5988 5.4912\n1521.7808 6.5839\n1530.4829 10.6827\n1532.0976 3.4775\n1536.0058 4.5110\n1537.8646 5.4795\n1542.3106 7.0604\n1555.0295 6.5998\n1624.8296 0.0248\n1634.5478 0.0436\n1653.2638 1.1450\n1659.1888 2.1074\n1697.9988 0.9767\n2902.0526 46.0907\n2925.0199 43.2966\n2937.5054 185.8642\n3011.2709 21.3905\n3047.9261 28.1627\n3061.2367 20.3343\n3072.2264 17.3658\n3076.5116 43.1569\n3086.5717 36.2722\n3112.4923 7.1787\n3114.2362 17.2378\n3120.9352 36.8854\n3127.2791 39.6163\n3131.0494 45.2152\n3132.3117 23.9771\n3140.2614 16.3151\n3144.2878 17.8907\n3182.0973 0.2939\n3184.1635 1.6202\n3193.6405 15.1414\n3199.5778 25.0313\n3206.1886 30.9437\n3216.8139 22.3806\n3220.2332 24.0034\n3223.5679 18.7762"
rotational.constants:"0.37785 GHz\n0.18195 GHz\n0.14613 GHz"
software:"Gaussian 09, Revision D.01"
contributor:"Ashley Zhang"
Time for openFile(https://webbook.nist.gov/cgi/inchi?Str3File=C5118296): 58 ms
reading 47 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
47 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