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__5465289272953493__ initializing
Jmol getValue debug null
Jmol getValue logLevel null
Jmol getValue allowjavascript null
AppletRegistry.checkIn(MoleculeDisplay__5465289272953493__)
vwrOptions:
{ "name":"MoleculeDisplay","applet":true,"documentBase":"https://webbook.nist.gov/cgi/cbook.cgi?Str3View=C81847576&Type=JSmol","platform":"J.awtjs.Platform","fullName":"MoleculeDisplay__5465289272953493__","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":"5465289272953493","bgcolor":"black" }
setting document base to "https://webbook.nist.gov/cgi/cbook.cgi?Str3View=C81847576&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__5465289272953493__ ready
script 2 started
FileManager.getAtomSetCollectionFromFile(https://webbook.nist.gov/cgi/cbook.cgi?Str3File=C81847576)
FileManager opening url https://webbook.nist.gov/cgi/cbook.cgi?Str3File=C81847576
The Resolver thinks Mol
NIST 07131513303D 1 1.00000 -882.50197
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:"2015-07-13"
cas.number:"81847-57-6"
method:"B3LYP/6-31G*"
dipole.moment:"2.6502 debye"
electronic.energy:"-882.501971175 hartree"
ir.frequencies:"\"Frequency (cm-1)\" \"Intensity (km/mol)\"\n38.2844 1.2324\n44.0400 0.8622\n51.0304 3.2869\n55.4474 0.3778\n74.3379 3.4467\n85.3976 0.2082\n91.5193 2.0208\n98.6263 2.4360\n119.3342 1.6522\n139.5276 5.2239\n151.1162 1.2962\n185.0418 1.2375\n191.1854 1.8890\n205.8977 5.7779\n225.3513 3.2350\n233.7832 2.1151\n242.0229 2.1750\n281.6226 6.5621\n306.9825 1.2547\n331.3996 2.9919\n344.0786 3.5517\n386.9917 3.7827\n410.2432 0.5082\n424.3495 5.4200\n454.3622 18.3984\n512.1152 12.6816\n559.3126 4.1802\n597.9755 6.2806\n625.9023 5.1104\n649.4306 4.9146\n687.3810 27.6241\n801.5894 13.4873\n853.3803 11.9427\n872.3654 15.6683\n902.2970 4.3660\n919.1219 5.0321\n979.9105 20.1885\n990.3890 21.8629\n999.4370 4.1079\n1016.8703 17.3219\n1030.8004 17.4412\n1059.2308 17.2978\n1074.4160 31.1707\n1077.0156 52.7517\n1096.2654 37.4189\n1124.3693 30.6754\n1145.0768 92.0008\n1151.8070 89.7727\n1156.3864 93.8147\n1173.1992 218.2706\n1188.7089 7.1226\n1193.4912 7.6610\n1194.4815 3.7757\n1202.5124 44.2333\n1229.8680 27.9214\n1239.2679 22.5308\n1242.2833 17.2380\n1257.5890 20.4261\n1288.2402 372.4790\n1293.9115 35.4276\n1327.3544 4.6400\n1335.1144 18.6486\n1343.4173 1.0105\n1369.8798 26.9608\n1385.5295 2.4693\n1412.5142 8.2296\n1416.9680 19.8224\n1420.1222 48.6381\n1426.7255 62.1294\n1437.8464 2.0269\n1450.0415 1.9395\n1499.4985 12.0837\n1501.3311 6.1123\n1503.1113 4.8153\n1503.8703 3.7656\n1504.9710 3.8227\n1514.0400 1.8290\n1515.8837 5.4421\n1519.5244 2.0569\n1521.9010 1.6724\n1532.6107 15.1700\n1543.0640 2.4533\n1545.5808 10.4904\n1558.4661 1.5740\n1819.0592 219.3114\n2954.3922 33.3768\n2976.4196 37.5753\n2979.2935 19.1580\n2994.9521 32.4960\n3003.0892 75.0116\n3005.8446 42.3602\n3008.3343 168.1576\n3022.5309 63.9500\n3039.7067 57.5173\n3073.1604 2.1375\n3096.9115 36.1950\n3099.5400 27.9452\n3100.4074 28.2204\n3133.0340 20.1021\n3135.3224 34.9544\n3136.0669 2.9641\n3136.9271 7.3397\n3142.3689 26.9990\n3144.9819 23.7944\n3182.1618 9.4548"
rotational.constants:"0.53836 GHz\n0.38094 GHz\n0.30927 GHz"
software:"Gaussian 09, Revision D.01"
contributor:"Avi Newman"
Time for openFile(https://webbook.nist.gov/cgi/cbook.cgi?Str3File=C81847576): 159 ms
reading 37 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
37 atoms created
ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation
Time for creating model: 15 ms
Script completed
Jmol script terminated
__Exporter exportScale: 10
__Exporter exportScale: 10