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__624977578661004__ initializing
Jmol getValue debug null
Jmol getValue logLevel null
Jmol getValue allowjavascript null
AppletRegistry.checkIn(MoleculeDisplay__624977578661004__)
vwrOptions:
{ "name":"MoleculeDisplay","applet":true,"documentBase":"https://webbook.nist.gov/cgi/cbook.cgi?Str3View=C5408571&Type=JSmol","platform":"J.awtjs.Platform","fullName":"MoleculeDisplay__624977578661004__","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":"624977578661004","bgcolor":"black" }
setting document base to "https://webbook.nist.gov/cgi/cbook.cgi?Str3View=C5408571&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__624977578661004__ ready
script 2 started
FileManager.getAtomSetCollectionFromFile(https://webbook.nist.gov/cgi/cbook.cgi?Str3File=C5408571)
FileManager opening url https://webbook.nist.gov/cgi/cbook.cgi?Str3File=C5408571
The Resolver thinks Mol
NIST 08011401553D 1 1.00000 -429.03669
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:"2014-08-01"
cas.number:"5408-57-1"
method:"B3LYP/6-31G*"
dipole.moment:"2.6097 debye"
electronic.energy:"-429.036689307 hartree"
ir.frequencies:"\"Frequency (cm-1)\" \"Intensity (km/mol)\"\n26.5025 0.6393\n51.1923 1.3561\n60.1514 0.3001\n89.5345 1.8938\n98.2974 0.2230\n127.2428 0.5667\n189.1104 0.2949\n225.3422 0.4678\n231.1638 1.0112\n238.7770 1.0164\n261.4427 0.5543\n303.1920 0.5804\n387.5951 1.2272\n397.0378 0.9489\n441.8117 0.4790\n472.5914 7.2675\n534.0797 6.7459\n609.6036 1.8393\n740.4487 3.0827\n783.3295 1.0059\n803.4982 2.4206\n834.6145 1.7498\n861.8563 1.3152\n938.4192 1.7693\n954.2229 2.8185\n961.5477 30.2124\n974.6157 0.7218\n998.7016 0.1922\n1029.4405 6.3451\n1060.3706 1.5259\n1067.4238 0.7207\n1076.3862 11.7947\n1156.9997 0.2732\n1160.2581 0.2347\n1198.6259 34.2932\n1204.5016 9.6046\n1231.5551 2.9574\n1284.8965 4.8035\n1299.8301 4.2757\n1315.6043 11.8803\n1342.1650 4.4145\n1355.7834 2.3670\n1362.5328 17.3128\n1387.7332 6.0969\n1403.4978 8.8275\n1424.5460 9.6499\n1430.2994 3.7898\n1443.4443 1.3041\n1449.4078 3.8642\n1484.9816 8.1608\n1502.7232 3.5051\n1507.8289 0.8278\n1520.0174 0.6872\n1524.8040 0.8733\n1530.0125 3.9437\n1534.7702 6.2787\n1535.2807 3.9335\n1536.5833 6.6099\n1541.8553 10.5845\n1806.1425 128.8115\n3002.3385 4.8116\n3008.2801 27.5819\n3017.7427 21.2589\n3032.3932 7.1098\n3034.4079 25.6569\n3037.9942 28.9378\n3040.4582 35.6253\n3045.1497 7.8485\n3054.3507 16.2817\n3056.7121 43.9323\n3096.5117 6.0042\n3102.2863 54.9709\n3106.4984 37.8466\n3107.9635 9.5990\n3108.6711 58.2699\n3121.6171 35.5250\n3123.5836 27.1447\n3131.7281 44.5003"
rotational.constants:"3.01815 GHz\n0.43561 GHz\n0.40379 GHz"
software:"Gaussian 09, Revision D.01"
contributor:"Ethan Ho"
Time for openFile(https://webbook.nist.gov/cgi/cbook.cgi?Str3File=C5408571): 164 ms
reading 28 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
28 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