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__7445341068337457__ initializing
Jmol getValue debug null
Jmol getValue logLevel null
Jmol getValue allowjavascript null
AppletRegistry.checkIn(MoleculeDisplay__7445341068337457__)
vwrOptions:
{ "name":"MoleculeDisplay","applet":true,"documentBase":"https://webbook.nist.gov/cgi/inchi?Str3View=C21009927&Type=JSmol","platform":"J.awtjs.Platform","fullName":"MoleculeDisplay__7445341068337457__","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":"7445341068337457","bgcolor":"black" }
setting document base to "https://webbook.nist.gov/cgi/inchi?Str3View=C21009927&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__7445341068337457__ ready
script 2 started
FileManager.getAtomSetCollectionFromFile(https://webbook.nist.gov/cgi/inchi?Str3File=C21009927)
FileManager opening url https://webbook.nist.gov/cgi/inchi?Str3File=C21009927
The Resolver thinks Mol
NIST 07181217293D 1 1.00000 -578.04238
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:"2012-07-18"
cas.number:"21009-92-7"
method:"B3LYP/6-31G*"
dipole.moment:"2.7172 debye"
electronic.energy:"-578.042382712 hartree"
ir.frequencies:"\"Frequency (cm-1)\" \"Intensity (km/mol)\"\n15.1994 4.2578\n49.3579 0.2874\n54.9121 4.2465\n70.8065 1.1794\n106.5334 0.3350\n134.3648 0.1512\n135.7119 1.6248\n168.2137 0.0457\n199.3331 1.6587\n207.3452 2.4525\n232.8045 3.1498\n278.9736 0.9667\n296.1458 3.1327\n333.9194 2.1269\n354.2977 1.7964\n421.0458 0.3468\n505.0703 2.2991\n527.2429 0.4913\n535.7450 16.7119\n567.0110 1.8407\n601.9464 8.5672\n628.5812 3.8888\n638.8480 2.6354\n685.0952 5.7264\n768.7233 0.5938\n871.3062 14.1436\n898.6133 0.3328\n946.0368 13.4094\n966.5953 5.9126\n994.6852 14.2397\n1028.2963 18.0679\n1046.6384 4.6163\n1056.8021 13.9129\n1071.5193 8.3408\n1074.5235 1.8444\n1087.1935 15.1259\n1114.8952 107.2338\n1185.1647 5.1274\n1191.1150 39.1736\n1221.2895 10.1773\n1253.8591 47.2948\n1289.7937 78.0947\n1318.7970 45.2646\n1339.9845 35.6002\n1405.2460 48.4873\n1441.5024 2.8463\n1445.2588 1.6572\n1451.0639 34.4290\n1491.3036 21.4040\n1493.8234 20.8158\n1502.4742 7.1135\n1508.3546 7.7325\n1512.5319 10.6145\n1516.6645 5.7861\n1517.0539 4.4676\n1525.1366 21.0160\n1531.1686 25.3320\n1535.1674 3.9623\n1616.2884 39.9617\n1662.3483 85.2842\n1780.7878 160.5699\n3029.4062 52.2428\n3043.4962 28.6536\n3050.2224 5.4935\n3060.2377 21.3018\n3091.0276 33.1853\n3100.1214 19.3585\n3120.5033 15.6675\n3127.9434 15.8577\n3130.8279 12.0831\n3139.0185 11.2875\n3152.3654 31.7510\n3175.6471 6.4976\n3176.5220 19.4167\n3194.5066 9.1765"
rotational.constants:"1.03177 GHz\n0.70142 GHz\n0.46033 GHz"
software:"Gaussian 09, Revision C.01"
contributor:"Katherine Hafner"
Time for openFile(https://webbook.nist.gov/cgi/inchi?Str3File=C21009927): 60 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: 7 ms
Script completed
Jmol script terminated
__Exporter exportScale: 10
__Exporter exportScale: 10