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__19881475446037__ initializing
Jmol getValue debug null
Jmol getValue logLevel null
Jmol getValue allowjavascript null
AppletRegistry.checkIn(MoleculeDisplay__19881475446037__)
vwrOptions:
{ "name":"MoleculeDisplay","applet":true,"documentBase":"https://webbook.nist.gov/cgi/inchi?Str3View=C1776665&Type=JSmol","platform":"J.awtjs.Platform","fullName":"MoleculeDisplay__19881475446037__","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":"19881475446037","bgcolor":"black" }
setting document base to "https://webbook.nist.gov/cgi/inchi?Str3View=C1776665&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__19881475446037__ ready
script 2 started
FileManager.getAtomSetCollectionFromFile(https://webbook.nist.gov/cgi/inchi?Str3File=C1776665)
FileManager opening url https://webbook.nist.gov/cgi/inchi?Str3File=C1776665
The Resolver thinks Mol
NIST 07021513073D 1 1.00000 -380.46814
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:"2015-07-02"
cas.number:"1776-66-5"
method:"B3LYP/6-31G*"
dipole.moment:"0.1166 debye"
electronic.energy:"-380.468140738 hartree"
ir.frequencies:"\"Frequency (cm-1)\" \"Intensity (km/mol)\"\n37.0744 0.0134\n49.4239 0.0140\n80.6422 0.0755\n126.6158 0.0367\n164.8670 0.0290\n175.3711 0.0470\n190.0554 0.0310\n211.8374 0.1381\n226.7436 0.2031\n230.2600 0.0643\n235.2930 0.0967\n238.4032 0.0939\n241.0127 0.0399\n266.6341 0.1089\n286.1527 0.0269\n320.4596 0.1177\n364.3922 0.0077\n394.0565 0.3349\n449.5184 0.7844\n536.6582 0.4163\n618.0457 0.0360\n715.4391 3.1903\n835.9196 0.8910\n855.6209 2.6024\n894.3138 0.6570\n933.4786 7.5686\n937.8311 7.2273\n940.4553 2.4422\n960.6859 62.8050\n965.5398 74.7781\n986.0671 0.6521\n988.3124 0.4964\n991.0820 1.3730\n1046.6381 2.1720\n1056.7598 2.0069\n1069.2149 1.2911\n1096.5961 8.1555\n1127.0851 16.4434\n1163.1900 13.9796\n1197.7919 1.4046\n1204.7653 2.6766\n1232.6854 17.7754\n1301.3997 4.1378\n1337.7322 10.9941\n1353.3155 12.0659\n1362.4580 3.5198\n1366.2529 1.0864\n1387.0615 14.3399\n1421.1244 0.0216\n1424.3565 0.0210\n1426.9817 3.8229\n1443.1738 3.7767\n1445.8171 0.9722\n1452.4120 1.6199\n1516.1774 1.0667\n1519.0479 0.6571\n1520.1994 0.0677\n1524.3663 5.2981\n1525.0806 2.3692\n1526.9647 0.4058\n1536.1218 3.6276\n1537.1714 1.2789\n1539.7375 1.7757\n1540.5505 18.7216\n1542.7595 15.8249\n1545.7564 0.9801\n2977.3492 23.1458\n2999.5737 36.9482\n3004.1085 27.0183\n3027.8340 30.3184\n3031.6902 23.7222\n3031.9266 70.6382\n3032.4117 5.0925\n3035.2354 63.1101\n3037.5165 14.3158\n3086.7038 3.7422\n3088.3421 78.7827\n3089.0371 14.3487\n3089.5058 81.2091\n3090.6628 14.2852\n3095.8206 30.0972\n3097.4551 33.9119\n3104.4127 42.9216\n3107.5524 41.0627\n3108.3458 41.8542\n3115.6194 34.6090\n3129.2414 34.3693"
rotational.constants:"1.26462 GHz\n0.98236 GHz\n0.80755 GHz"
software:"Gaussian 09, Revision D.01"
contributor:"Daniel Graham"
Time for openFile(https://webbook.nist.gov/cgi/inchi?Str3File=C1776665): 63 ms
reading 31 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
31 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