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__103547336189929__ initializing
Jmol getValue debug null
Jmol getValue logLevel null
Jmol getValue allowjavascript null
AppletRegistry.checkIn(MoleculeDisplay__103547336189929__)
vwrOptions:
{ "name":"MoleculeDisplay","applet":true,"documentBase":"https://webbook.nist.gov/cgi/inchi?Str3View=C53161867&Type=JSmol","platform":"J.awtjs.Platform","fullName":"MoleculeDisplay__103547336189929__","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":"103547336189929","bgcolor":"black" }
setting document base to "https://webbook.nist.gov/cgi/inchi?Str3View=C53161867&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__103547336189929__ ready
script 2 started
FileManager.getAtomSetCollectionFromFile(https://webbook.nist.gov/cgi/inchi?Str3File=C53161867)
FileManager opening url https://webbook.nist.gov/cgi/inchi?Str3File=C53161867
The Resolver thinks Mol
NIST 08061217063D 1 1.00000 -564.15193
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:"2012-08-06"
cas.number:"53161-86-7"
method:"B3LYP/6-31G*"
dipole.moment:"1.8383 debye"
electronic.energy:"-564.151928767 hartree"
ir.frequencies:"\"Frequency (cm-1)\" \"Intensity (km/mol)\"\n47.2704 0.3818\n59.3343 2.4164\n76.7462 1.1843\n105.8057 3.6521\n111.2474 2.6385\n144.5184 3.0664\n150.8424 6.0303\n159.9948 0.3273\n169.5456 0.6950\n187.1237 5.2337\n199.5204 0.2931\n208.4075 0.3050\n241.8508 0.3531\n249.5011 0.2875\n279.3835 5.4065\n323.4221 8.3463\n328.7579 0.2055\n424.1982 10.6147\n495.8679 9.1167\n521.5067 6.8314\n596.3447 0.6789\n622.5710 11.5252\n636.1345 1.1660\n687.3079 47.3056\n795.9536 10.7278\n905.3599 0.1317\n1049.5323 36.0005\n1059.1707 2.6581\n1100.3569 26.2599\n1111.2250 1.5074\n1142.8441 15.8810\n1163.8208 2.1759\n1166.3450 3.3827\n1169.8268 18.9017\n1192.2699 19.0784\n1192.5699 14.6941\n1200.0505 17.8745\n1205.0630 56.0276\n1215.6350 17.9018\n1272.4808 19.0226\n1278.3329 163.7370\n1379.1750 224.1330\n1423.8643 415.6192\n1430.8836 633.6324\n1438.8565 176.4391\n1478.6134 80.2499\n1486.0738 9.3411\n1503.3569 4.4684\n1503.7305 44.3107\n1521.2798 10.0162\n1528.4251 3.6642\n1530.6995 23.4338\n1531.6488 6.1922\n1533.8832 23.0979\n1539.6519 2.1175\n1540.7693 5.8138\n1544.3513 4.0301\n1547.1659 86.4055\n1560.3295 118.1445\n1561.6173 33.4085\n3010.9118 75.1880\n3013.5595 54.8466\n3024.6745 111.8912\n3025.5831 45.2479\n3038.5055 67.7285\n3064.6874 32.1379\n3071.6838 69.4912\n3085.9694 27.8719\n3086.2096 53.4930\n3090.6123 43.4295\n3111.3611 50.2872\n3112.3532 48.9199\n3136.5310 18.8463\n3153.3639 26.1265\n3155.3708 14.1903"
rotational.constants:"1.39016 GHz\n0.69934 GHz\n0.49198 GHz"
software:"Gaussian 09, Revision C.01"
contributor:"Katherine Hafner"
Time for openFile(https://webbook.nist.gov/cgi/inchi?Str3File=C53161867): 293 ms
reading 27 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
27 atoms created
ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation
Time for creating model: 10 ms
Script completed
Jmol script terminated
__Exporter exportScale: 10
__Exporter exportScale: 10