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__0328952213205378__ initializing
Jmol getValue debug null
Jmol getValue logLevel null
Jmol getValue allowjavascript null
AppletRegistry.checkIn(MoleculeDisplay__0328952213205378__)
vwrOptions:
{ "name":"MoleculeDisplay","applet":true,"documentBase":"https://webbook.nist.gov/cgi/inchi?Str3View=C55530579&Type=JSmol","platform":"J.awtjs.Platform","fullName":"MoleculeDisplay__0328952213205378__","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":"0328952213205378","bgcolor":"black" }
setting document base to "https://webbook.nist.gov/cgi/inchi?Str3View=C55530579&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__0328952213205378__ ready
script 2 started
FileManager.getAtomSetCollectionFromFile(https://webbook.nist.gov/cgi/inchi?Str3File=C55530579)
FileManager opening url https://webbook.nist.gov/cgi/inchi?Str3File=C55530579
The Resolver thinks Mol
NIST 08051410563D 1 1.00000 -1096.71721
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:"2014-08-05"
cas.number:"55530-57-9"
method:"B3LYP/6-31G*"
dipole.moment:"5.1010 debye"
electronic.energy:"-1096.71721398 hartree"
ir.frequencies:"\"Frequency (cm-1)\" \"Intensity (km/mol)\"\n17.1324 0.5285\n27.9468 2.1046\n39.8684 0.0897\n51.6338 0.5148\n65.1504 2.1591\n76.4952 1.2650\n103.6383 0.5024\n115.0005 2.1191\n128.8071 0.1377\n136.9951 0.0535\n140.0936 0.6053\n143.5105 0.7873\n157.6501 0.0492\n162.8812 0.3668\n195.5212 0.8589\n197.9591 0.0343\n226.5245 0.5906\n236.4872 3.4287\n258.4826 21.3377\n272.6370 9.0453\n283.2026 6.6690\n342.5153 3.7763\n350.6862 4.2734\n360.1311 3.6104\n433.3617 2.2536\n436.6688 2.8775\n507.4227 8.8273\n593.6754 4.8360\n602.6915 2.7461\n623.7681 11.4602\n673.4066 5.1838\n699.7776 11.1562\n702.5770 8.7864\n709.6082 11.9077\n710.4613 4.9480\n719.0472 45.4583\n752.1333 0.4815\n755.5196 70.3050\n783.2344 16.2799\n789.4831 45.1891\n792.7384 12.5169\n812.0188 1.1837\n820.0034 8.6406\n857.5970 14.3022\n895.9515 188.0501\n897.1503 111.0621\n901.4322 2.6381\n908.5664 281.6708\n942.9315 16.3001\n968.0120 1.9218\n998.7745 0.2129\n1042.8804 39.6172\n1071.7364 5.6985\n1098.3363 104.8398\n1139.4333 17.4987\n1142.5228 121.6995\n1175.1111 87.7648\n1198.5223 2.5322\n1200.4515 2.3379\n1288.3727 303.0124\n1308.5682 75.0323\n1324.6472 391.8728\n1328.2100 107.0295\n1332.8071 135.7059\n1340.2498 63.5553\n1340.8966 66.2373\n1355.9568 104.9105\n1419.1770 9.1360\n1444.9830 12.4481\n1480.7799 0.0129\n1487.8439 1.4052\n1491.0356 4.8838\n1492.4709 3.5224\n1492.5653 2.5633\n1499.9245 1.6227\n1511.2920 16.0725\n1515.1055 1.7501\n1527.0718 6.3476\n1529.8291 11.8654\n1544.6094 0.9799\n1628.1283 19.9433\n1654.2341 8.0668\n1759.8753 223.6620\n1833.1633 300.2130\n3046.8392 1.7126\n3047.7310 4.0266\n3049.9268 7.1244\n3059.7940 19.3378\n3063.4508 36.2997\n3114.6297 6.0143\n3116.4296 3.9907\n3119.6075 28.5236\n3122.1360 6.8390\n3126.2868 12.4490\n3134.0036 30.0743\n3144.3403 4.4354\n3146.6981 6.0196\n3157.1804 26.1498\n3190.4643 0.5103\n3201.7796 9.6787\n3212.6174 20.9547\n3234.7494 4.1460"
rotational.constants:"0.51808 GHz\n0.26004 GHz\n0.20865 GHz"
software:"Gaussian 09, Revision D.01"
contributor:"Ethan Ho"
Time for openFile(https://webbook.nist.gov/cgi/inchi?Str3File=C55530579): 315 ms
reading 36 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
36 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