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__871317075707418__ initializing
Jmol getValue debug null
Jmol getValue logLevel null
Jmol getValue allowjavascript null
AppletRegistry.checkIn(MoleculeDisplay__871317075707418__)
vwrOptions:
{ "name":"MoleculeDisplay","applet":true,"documentBase":"https://webbook.nist.gov/cgi/inchi?Str3View=U331055&Type=JSmol","platform":"J.awtjs.Platform","fullName":"MoleculeDisplay__871317075707418__","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":"871317075707418","bgcolor":"black" }
setting document base to "https://webbook.nist.gov/cgi/inchi?Str3View=U331055&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__871317075707418__ ready
script 2 started
FileManager.getAtomSetCollectionFromFile(https://webbook.nist.gov/cgi/inchi?Str3File=U331055)
FileManager opening url https://webbook.nist.gov/cgi/inchi?Str3File=U331055
The Resolver thinks Mol
NIST 07281410513D 1 1.00000 -696.01191
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:"2014-07-28"
webbook.id:"U331055"
method:"B3LYP/6-31G*"
dipole.moment:"1.7009 debye"
electronic.energy:"-696.011906928 hartree"
ir.frequencies:"\"Frequency (cm-1)\" \"Intensity (km/mol)\"\n17.9896 0.0210\n25.2675 0.1680\n38.4339 0.7186\n38.9543 0.4963\n49.9476 0.4523\n75.0626 0.2845\n103.1140 2.5959\n125.6604 0.0457\n167.5190 1.1573\n210.5552 1.2742\n223.2167 0.1782\n242.8927 0.5101\n255.7478 2.2939\n280.4799 8.9428\n305.3546 4.4355\n341.4637 0.5391\n383.9467 4.2114\n417.2017 0.0076\n420.6480 5.6355\n452.2832 0.7360\n524.1767 11.3548\n566.2375 4.2774\n569.9821 5.2312\n609.7712 2.4274\n636.7904 0.0050\n697.4199 3.1165\n718.4131 24.5022\n769.0403 16.1745\n778.6754 11.7200\n789.2951 4.6231\n808.1938 4.1921\n836.1147 5.4978\n861.5570 0.0174\n906.8593 4.3627\n919.3980 6.1031\n928.1045 1.8358\n965.5376 0.0062\n970.9770 13.6013\n977.3496 7.4461\n993.8613 1.5938\n997.4366 11.8046\n1018.4703 0.8359\n1025.0539 2.6629\n1037.5898 2.3079\n1057.6186 0.3298\n1059.8137 1.6730\n1072.7296 26.0370\n1115.2846 1.8883\n1143.7347 3.0180\n1173.8177 78.4167\n1182.2960 3.6297\n1192.6109 0.0039\n1199.5475 356.9251\n1211.1967 45.9221\n1214.2679 2.9647\n1234.1788 0.0974\n1293.4090 2.0588\n1312.1541 0.8373\n1313.7582 3.5136\n1328.4814 110.5906\n1345.0328 27.6271\n1360.9392 0.0410\n1371.5459 0.4203\n1388.5082 1.2732\n1402.3618 13.3611\n1410.8034 20.3183\n1427.8874 26.1947\n1446.1617 11.5717\n1448.7197 3.7562\n1488.9643 11.9002\n1501.6577 4.8681\n1519.3815 0.2969\n1520.6874 5.9874\n1522.6987 0.4643\n1532.1697 6.4234\n1535.0320 3.4802\n1536.7033 13.8752\n1547.6145 12.0733\n1551.6048 2.4012\n1644.0689 1.0058\n1666.2962 6.5619\n1813.9360 193.0461\n3005.3656 19.6104\n3035.1760 23.4163\n3044.8494 32.6185\n3048.2467 26.3656\n3055.2287 6.7054\n3066.8369 32.1234\n3069.6937 21.2792\n3076.3749 44.9104\n3084.9682 0.8187\n3106.3392 35.5997\n3111.1247 34.2866\n3112.4834 20.0318\n3123.2507 34.3716\n3129.6671 31.1555\n3158.7287 7.0634\n3171.5782 11.1652\n3173.1010 6.8824\n3186.7664 6.3218\n3195.2897 41.9837\n3208.3365 23.7247"
rotational.constants:"1.19464 GHz\n0.17789 GHz\n0.17744 GHz"
software:"Gaussian 09, Revision D.01"
contributor:"Emily Jin"
Time for openFile(https://webbook.nist.gov/cgi/inchi?Str3File=U331055): 66 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: 8 ms
Script completed
Jmol script terminated
__Exporter exportScale: 10
__Exporter exportScale: 10