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__225265119665336__ initializing
Jmol getValue debug null
Jmol getValue logLevel null
Jmol getValue allowjavascript null
AppletRegistry.checkIn(MoleculeDisplay__225265119665336__)
vwrOptions:
{ "name":"MoleculeDisplay","applet":true,"documentBase":"https://webbook.nist.gov/cgi/cbook.cgi?Str3View=C6831169&Type=JSmol","platform":"J.awtjs.Platform","fullName":"MoleculeDisplay__225265119665336__","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":"225265119665336","bgcolor":"black" }
setting document base to "https://webbook.nist.gov/cgi/cbook.cgi?Str3View=C6831169&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__225265119665336__ ready
script 2 started
FileManager.getAtomSetCollectionFromFile(https://webbook.nist.gov/cgi/cbook.cgi?Str3File=C6831169)
FileManager opening url https://webbook.nist.gov/cgi/cbook.cgi?Str3File=C6831169
The Resolver thinks Mol
NIST 08031214553D 1 1.00000 -586.01602
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:"2012-08-03"
cas.number:"6831-16-9"
method:"B3LYP/6-31G*"
dipole.moment:"0.2879 debye"
electronic.energy:"-586.016020512 hartree"
ir.frequencies:"\"Frequency (cm-1)\" \"Intensity (km/mol)\"\n65.6321 0.0152\n115.2759 0.1828\n151.9072 0.0292\n182.7918 0.0260\n205.0808 0.5780\n214.6133 0.0965\n229.3907 0.0392\n238.3163 0.3545\n248.2440 0.2245\n266.8283 0.1602\n275.3876 0.2641\n281.6373 0.0069\n299.4576 0.6420\n313.9857 0.0272\n343.1998 0.1498\n371.9820 0.2506\n405.3470 0.5240\n410.4807 0.1434\n423.0331 0.0539\n469.2624 0.0957\n486.8822 1.0853\n509.9969 0.3395\n552.7406 0.5646\n609.1782 2.3613\n649.7747 2.5360\n657.7329 1.5692\n709.3013 0.0772\n737.2412 0.2759\n793.0662 6.0181\n816.1250 2.3648\n832.7585 4.7584\n870.8252 0.2111\n877.3600 2.7614\n902.6355 0.9018\n924.4325 0.7194\n965.5893 10.5503\n968.3657 0.4111\n973.5111 1.6023\n979.7214 2.2150\n992.4567 3.6519\n1008.5407 1.7843\n1016.7805 1.4234\n1035.1957 0.8721\n1044.1071 3.4978\n1049.2745 1.1050\n1064.4870 6.8634\n1077.8863 0.6621\n1113.7059 7.1537\n1132.0460 0.4692\n1144.6866 3.6684\n1149.2493 1.8628\n1166.7091 0.5933\n1180.9697 8.3659\n1188.6170 0.8424\n1213.1139 4.8614\n1223.0729 1.3431\n1226.8907 3.7600\n1251.7582 2.1735\n1267.0049 3.7401\n1311.1436 1.2476\n1343.8594 0.6383\n1354.4535 0.4435\n1367.8612 2.5935\n1376.3422 5.3441\n1380.2430 3.8191\n1385.5979 1.0020\n1389.3731 1.6409\n1406.7987 1.9816\n1414.9173 1.2642\n1434.7717 2.9789\n1436.2293 8.1903\n1441.1739 1.8153\n1446.2380 1.7228\n1468.2755 0.7476\n1507.7877 5.2578\n1510.9977 1.4777\n1514.9485 3.4721\n1517.8265 1.2412\n1520.3118 5.9446\n1524.0617 3.0724\n1526.7626 0.7635\n1531.1911 5.1329\n1537.3457 5.1558\n1538.7691 3.9102\n1543.0018 6.0099\n1550.1257 1.8590\n1733.7848 0.5734\n2997.3852 27.1318\n3001.2959 53.6805\n3010.2319 19.9404\n3017.6771 21.4048\n3027.6630 34.9477\n3036.5757 25.6745\n3039.7598 59.0976\n3044.0120 22.2878\n3047.8532 42.4166\n3054.7250 23.8890\n3067.5336 59.3525\n3072.5325 41.6153\n3083.9197 32.7790\n3084.0684 46.1770\n3094.2520 52.0980\n3102.6345 17.6169\n3110.0570 20.7933\n3116.1026 36.4710\n3119.6467 36.5065\n3133.0998 21.2865\n3133.6906 62.3150\n3137.4328 28.1959\n3147.1000 24.4614\n3163.5897 11.9914"
rotational.constants:"0.92852 GHz\n0.53416 GHz\n0.46154 GHz"
software:"Gaussian 09, Revision C.01"
contributor:"Jeffrey Qiu"
Time for openFile(https://webbook.nist.gov/cgi/cbook.cgi?Str3File=C6831169): 72 ms
reading 39 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
39 atoms created
ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation
Time for creating model: 8 ms
Script completed
Jmol script terminated
__Exporter exportScale: 10
__Exporter exportScale: 10