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__522275109308634__ initializing
Jmol getValue debug null
Jmol getValue logLevel null
Jmol getValue allowjavascript null
AppletRegistry.checkIn(MoleculeDisplay__522275109308634__)
vwrOptions:
{ "name":"MoleculeDisplay","applet":true,"documentBase":"https://webbook.nist.gov/cgi/inchi?Str3View=C6787606&Type=JSmol","platform":"J.awtjs.Platform","fullName":"MoleculeDisplay__522275109308634__","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":"522275109308634","bgcolor":"black" }
setting document base to "https://webbook.nist.gov/cgi/inchi?Str3View=C6787606&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__522275109308634__ ready
script 2 started
FileManager.getAtomSetCollectionFromFile(https://webbook.nist.gov/cgi/inchi?Str3File=C6787606)
FileManager opening url https://webbook.nist.gov/cgi/inchi?Str3File=C6787606
The Resolver thinks Mol
NIST 07081506163D 1 1.00000 -584.85207
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:"2015-07-08"
cas.number:"6787-60-6"
method:"B3LYP/6-31G*"
dipole.moment:"0.1691 debye"
electronic.energy:"-584.852072776 hartree"
ir.frequencies:"\"Frequency (cm-1)\" \"Intensity (km/mol)\"\n83.0806 0.0431\n106.5947 0.0231\n107.4221 0.0332\n113.9630 0.2848\n129.6004 0.0094\n167.4306 0.0103\n218.0444 0.2805\n243.0742 0.0001\n282.4002 0.1726\n299.8840 0.0202\n309.8547 0.0690\n321.6442 0.1146\n357.5112 0.0665\n378.5071 0.0497\n431.9763 0.0495\n432.9648 0.0378\n467.6101 0.0187\n494.2043 0.4525\n508.3266 4.3875\n589.8641 10.7443\n655.0679 0.0091\n693.9362 0.6558\n731.3142 5.0256\n738.7082 8.5538\n742.6521 0.2067\n801.5933 0.3868\n812.4819 0.0440\n823.7220 32.2244\n848.7052 1.8130\n868.4123 2.8625\n875.4399 2.8093\n890.7155 0.5950\n905.9692 3.6843\n912.7020 0.7015\n960.7659 4.3530\n963.6658 0.3479\n977.1647 3.7567\n985.8442 0.0042\n1022.2489 0.3193\n1039.5233 0.9917\n1048.4157 0.0100\n1055.7640 0.1679\n1065.1059 0.4346\n1092.9819 0.3329\n1095.4412 3.6841\n1110.2657 0.0374\n1144.6892 4.2053\n1175.0917 1.4960\n1188.9578 0.3500\n1215.0230 0.0631\n1218.0548 0.4671\n1223.7743 0.0843\n1231.4293 0.7268\n1240.4441 0.4510\n1272.5891 2.2862\n1277.8619 0.0121\n1288.2944 1.6633\n1321.5936 2.1400\n1341.8250 1.9996\n1347.7394 4.1985\n1352.9941 0.8188\n1355.3950 2.7438\n1364.7115 0.6185\n1380.2155 0.2771\n1383.3244 0.0096\n1390.8919 5.9465\n1395.4760 4.9157\n1398.0654 5.1083\n1413.2376 0.0053\n1415.9136 0.0395\n1465.2664 5.1394\n1515.6652 4.0827\n1516.1901 2.8452\n1516.9986 4.9642\n1520.2428 2.8747\n1526.1666 0.0747\n1528.3268 0.8781\n1528.9750 2.4504\n1532.0492 0.3091\n1535.2805 9.5118\n1562.3090 13.2076\n1626.9094 0.0710\n1671.4454 2.4775\n3016.3011 15.8554\n3027.0286 29.0995\n3030.8196 26.5103\n3030.9735 7.2461\n3034.3538 0.1106\n3035.8187 36.7041\n3036.8957 78.4774\n3041.3338 70.7239\n3043.0790 17.8616\n3052.4605 38.2719\n3066.3529 2.7880\n3066.4732 49.3299\n3073.2393 11.1147\n3076.9481 67.5457\n3082.5247 41.6019\n3083.0573 60.5873\n3098.0259 52.1990\n3102.3644 56.8346\n3167.2288 24.0901\n3167.8009 0.1990\n3183.9104 42.5897\n3187.1543 1.6346"
rotational.constants:"0.80140 GHz\n0.55673 GHz\n0.39030 GHz"
software:"Gaussian 09, Revision D.01"
contributor:"Ashley Zhang"
Time for openFile(https://webbook.nist.gov/cgi/inchi?Str3File=C6787606): 268 ms
reading 37 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
37 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