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__509382828920019__ initializing
Jmol getValue debug null
Jmol getValue logLevel null
Jmol getValue allowjavascript null
AppletRegistry.checkIn(MoleculeDisplay__509382828920019__)
vwrOptions:
{ "name":"MoleculeDisplay","applet":true,"documentBase":"https://webbook.nist.gov/cgi/inchi?Str3View=C4945486&Type=JSmol","platform":"J.awtjs.Platform","fullName":"MoleculeDisplay__509382828920019__","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":"509382828920019","bgcolor":"black" }
setting document base to "https://webbook.nist.gov/cgi/inchi?Str3View=C4945486&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__509382828920019__ ready
script 2 started
FileManager.getAtomSetCollectionFromFile(https://webbook.nist.gov/cgi/inchi?Str3File=C4945486)
FileManager opening url https://webbook.nist.gov/cgi/inchi?Str3File=C4945486
The Resolver thinks Mol
NIST 08101209293D 1 1.00000 -409.15735
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:"2012-08-10"
cas.number:"4945-48-6"
method:"B3LYP/6-31G*"
dipole.moment:"0.4005 debye"
electronic.energy:"-409.157352353 hartree"
ir.frequencies:"\"Frequency (cm-1)\" \"Intensity (km/mol)\"\n47.9873 0.0694\n65.7923 0.0539\n86.1115 0.0563\n129.3707 0.0902\n181.8303 0.7101\n239.1952 0.2721\n251.8763 0.0745\n272.4015 0.2649\n299.6164 0.2957\n323.9836 1.4020\n406.3862 2.4746\n458.5251 2.0030\n468.8726 0.5948\n477.1512 1.1527\n584.1395 0.0266\n748.1825 3.0077\n791.5392 8.3983\n812.8564 1.2398\n827.2740 0.4786\n871.3520 3.7371\n879.5765 3.1058\n910.5397 0.6879\n923.5829 5.1261\n962.2501 1.2415\n989.2475 1.0604\n1002.1133 6.5263\n1040.4425 2.8822\n1059.4164 8.8363\n1066.6633 1.1790\n1081.8059 5.1301\n1120.9180 20.0672\n1133.4950 14.4399\n1161.1714 18.7288\n1183.6212 13.2544\n1191.2395 6.5755\n1196.3207 10.2492\n1253.4869 5.3687\n1279.6140 10.1648\n1304.4435 6.5594\n1311.2511 5.6399\n1316.7599 12.6760\n1335.5974 2.5207\n1343.1811 2.6300\n1355.7718 10.6131\n1372.9911 2.5551\n1397.5080 8.7334\n1401.8328 3.2920\n1404.9525 2.3987\n1409.8337 7.6593\n1432.0574 26.7945\n1441.6911 2.1647\n1453.9368 2.3018\n1505.2368 1.3369\n1513.6894 4.4149\n1514.7813 3.1083\n1518.5365 0.1385\n1524.4089 5.4996\n1525.3062 0.8018\n1530.1521 5.9289\n1531.9819 0.4326\n1540.6760 0.5649\n1546.7481 4.4456\n2887.4715 25.3999\n2894.1013 49.9343\n2911.1536 150.6058\n3023.2987 18.4843\n3024.9990 29.2637\n3037.0550 21.7580\n3041.3229 25.4849\n3042.1889 25.1195\n3043.0198 31.2972\n3049.0681 9.5608\n3053.7559 13.1905\n3069.6896 63.4916\n3074.5276 51.7134\n3082.2993 11.8589\n3082.8273 51.8805\n3088.6096 85.5094\n3100.5087 39.2291\n3107.9755 77.7252\n3111.6130 45.0940"
rotational.constants:"3.49164 GHz\n0.52214 GHz\n0.47867 GHz"
software:"Gaussian 09, Revision C.01"
contributor:"Alexander Yang"
Time for openFile(https://webbook.nist.gov/cgi/inchi?Str3File=C4945486): 90 ms
reading 29 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
29 atoms created
ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation
Time for creating model: 7 ms
Script completed
Jmol script terminated
__Exporter exportScale: 10
__Exporter exportScale: 10