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__2940082946474787__ initializing
Jmol getValue debug null
Jmol getValue logLevel null
Jmol getValue allowjavascript null
AppletRegistry.checkIn(MoleculeDisplay__2940082946474787__)
vwrOptions:
{ "name":"MoleculeDisplay","applet":true,"documentBase":"https://webbook.nist.gov/cgi/cbook.cgi?Str3View=C502670&Type=JSmol","platform":"J.awtjs.Platform","fullName":"MoleculeDisplay__2940082946474787__","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":"2940082946474787","bgcolor":"black" }
setting document base to "https://webbook.nist.gov/cgi/cbook.cgi?Str3View=C502670&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__2940082946474787__ ready
script 2 started
FileManager.getAtomSetCollectionFromFile(https://webbook.nist.gov/cgi/cbook.cgi?Str3File=C502670)
FileManager opening url https://webbook.nist.gov/cgi/cbook.cgi?Str3File=C502670
The Resolver thinks Mol
NIST 07071511403D 1 1.00000 -661.22852
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:"2015-07-07"
cas.number:"502-67-0"
method:"B3LYP/6-31G*"
dipole.moment:"4.2803 debye"
electronic.energy:"-661.228516028 hartree"
ir.frequencies:"\"Frequency (cm-1)\" \"Intensity (km/mol)\"\n14.4528 0.5986\n20.7767 1.3195\n25.4870 0.5973\n34.9319 0.4050\n48.3470 0.3181\n56.0375 0.6189\n80.3484 0.4615\n98.2227 0.3324\n110.9745 0.7366\n132.5447 0.7683\n146.1003 0.0671\n162.2616 0.6101\n172.9844 4.9370\n197.5545 0.2460\n221.3885 0.5414\n228.1060 4.7240\n249.4174 1.2497\n276.8686 0.2042\n304.9911 0.2948\n335.0394 0.6839\n363.4967 1.4061\n378.3823 3.2399\n401.2464 1.9241\n415.8470 2.6797\n463.1942 3.2984\n489.1613 5.9924\n505.3106 4.8823\n517.3960 3.7180\n544.2189 2.1094\n592.6622 7.7534\n620.2815 5.2486\n759.5296 0.8747\n776.8009 0.8825\n811.7594 0.2293\n829.8200 5.6552\n854.6369 8.6447\n869.8815 9.3456\n891.3403 1.1875\n901.1403 9.4256\n973.9145 0.4778\n979.4734 1.4817\n996.2384 4.7000\n1004.4164 14.0736\n1011.8716 3.5718\n1016.9767 1.0639\n1018.1145 2.6807\n1031.3309 2.2297\n1044.2098 10.4362\n1073.4349 11.6109\n1079.0771 0.8164\n1081.9821 0.2991\n1115.2678 4.1119\n1118.7519 0.5283\n1143.3050 24.4609\n1147.0865 41.5252\n1182.3651 0.8115\n1189.4196 1.7787\n1225.0562 65.3197\n1250.9940 16.8686\n1262.3166 0.0894\n1297.5392 0.3577\n1300.2333 1.7582\n1321.5271 1.5540\n1326.7572 1.1570\n1370.2903 9.0104\n1373.3302 4.7557\n1380.6300 1.4936\n1407.2560 8.0279\n1415.1785 0.3642\n1440.1119 6.4233\n1441.2622 21.4809\n1448.4004 5.3003\n1451.5866 2.0214\n1459.4991 1.1044\n1501.6648 0.8016\n1503.0800 1.0500\n1506.4156 3.2757\n1510.9978 5.2488\n1513.1500 4.1446\n1516.7932 11.9540\n1519.8340 7.7930\n1520.6365 8.0264\n1523.5766 7.0508\n1525.8840 4.3132\n1532.0500 5.1513\n1532.9741 8.7459\n1701.2811 75.1357\n1744.1919 3.3003\n1753.9587 1.7026\n1777.1224 321.6889\n2930.6621 119.5568\n3019.4455 1.1602\n3023.4828 28.7508\n3029.9446 24.5624\n3030.2766 59.9062\n3032.1480 47.5450\n3033.1953 31.1417\n3038.0657 30.2299\n3045.0801 21.8079\n3067.0744 8.7456\n3070.3480 9.1132\n3071.7911 44.3366\n3080.8427 24.6667\n3090.2091 20.1076\n3093.0051 6.5173\n3103.1299 16.8710\n3107.9466 16.2286\n3120.6136 7.2599\n3126.7593 19.7495\n3129.5979 74.5496\n3145.1076 48.5498\n3147.0827 24.4602\n3162.0248 21.9717\n3172.0580 8.5306"
rotational.constants:"1.23241 GHz\n0.12216 GHz\n0.11821 GHz"
software:"Gaussian 09, Revision D.01"
contributor:"Ashley Zhang"
Time for openFile(https://webbook.nist.gov/cgi/cbook.cgi?Str3File=C502670): 327 ms
reading 40 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
40 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