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__016026781053152__ initializing
Jmol getValue debug null
Jmol getValue logLevel null
Jmol getValue allowjavascript null
AppletRegistry.checkIn(MoleculeDisplay__016026781053152__)
vwrOptions:
{ "name":"MoleculeDisplay","applet":true,"documentBase":"https://webbook.nist.gov/cgi/cbook.cgi?Str3View=C3669805&Type=JSmol","platform":"J.awtjs.Platform","fullName":"MoleculeDisplay__016026781053152__","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":"016026781053152","bgcolor":"black" }
setting document base to "https://webbook.nist.gov/cgi/cbook.cgi?Str3View=C3669805&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__016026781053152__ ready
script 2 started
FileManager.getAtomSetCollectionFromFile(https://webbook.nist.gov/cgi/cbook.cgi?Str3File=C3669805)
FileManager opening url https://webbook.nist.gov/cgi/cbook.cgi?Str3File=C3669805
The Resolver thinks Mol
NIST 07021507273D 1 1.00000 -658.10990
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:"3669-80-5"
method:"B3LYP/6-31G*"
dipole.moment:"1.9851 debye"
electronic.energy:"-658.109901506 hartree"
ir.frequencies:"\"Frequency (cm-1)\" \"Intensity (km/mol)\"\n19.3400 1.0859\n21.8303 0.3590\n33.4049 0.4280\n43.9534 0.2692\n59.5880 0.8823\n82.5664 0.2703\n87.4967 0.7520\n107.9233 1.0780\n126.1941 0.3953\n136.5508 0.1277\n159.7256 1.7491\n163.9385 0.0681\n184.9139 13.5011\n187.0967 1.5274\n247.1759 32.7974\n285.3896 79.8641\n325.7130 3.7407\n357.9711 1.5758\n420.3091 2.0863\n477.4268 2.6635\n502.8070 21.7325\n523.3928 19.5166\n536.4966 5.6712\n635.2086 29.8687\n678.7379 93.9606\n738.1226 9.4713\n740.1097 0.0558\n750.5555 3.3733\n778.2314 6.1783\n823.7374 0.7874\n881.4281 8.0213\n883.5939 5.0400\n899.3352 0.8939\n943.3004 1.7798\n991.8602 1.2748\n1006.7531 10.4994\n1012.6683 2.5394\n1044.1582 10.1066\n1050.6248 1.5144\n1060.9526 3.0620\n1074.1034 0.7924\n1074.8554 3.6175\n1082.1872 26.8093\n1095.3390 64.3845\n1132.5843 19.0689\n1150.4519 4.8014\n1158.3128 31.6659\n1167.5547 214.5643\n1234.3183 10.1930\n1237.8880 1.5815\n1259.0562 12.5414\n1268.5722 8.2476\n1284.8479 20.9783\n1297.7025 10.5963\n1311.9351 2.9811\n1323.2853 10.7254\n1338.4872 4.5793\n1340.4406 1.7617\n1343.6373 0.0148\n1348.5505 6.6129\n1354.3235 0.0699\n1356.5600 4.5444\n1371.5084 15.9032\n1400.5930 12.1954\n1421.5498 14.7106\n1427.0183 0.4164\n1429.7157 0.4660\n1439.7694 40.6778\n1472.6964 12.2717\n1490.6471 13.1519\n1506.4886 3.3164\n1513.7070 0.2044\n1514.3776 0.3793\n1517.2012 0.3836\n1521.0900 0.5177\n1529.9689 2.0036\n1538.6115 0.2504\n1544.5948 4.7346\n1550.8588 4.6069\n1847.1583 241.5283\n2977.5107 68.3720\n3003.6812 61.7184\n3009.1812 2.0348\n3010.3034 0.2380\n3013.5692 6.6017\n3015.1408 2.5365\n3019.5049 3.6067\n3026.2546 115.4691\n3032.0544 4.1942\n3034.1676 8.5570\n3035.7710 69.3167\n3041.3722 14.5164\n3043.4133 4.8176\n3055.7620 42.9044\n3056.9553 1.7960\n3067.7501 45.7390\n3069.9147 12.5630\n3073.9700 57.3354\n3093.4039 82.9933\n3098.4892 73.9466\n3685.7008 41.7774\n3756.6712 12.5675"
rotational.constants:"3.64951 GHz\n0.10558 GHz\n0.10388 GHz"
software:"Gaussian 09, Revision D.01"
contributor:"Ashley Zhang"
Time for openFile(https://webbook.nist.gov/cgi/cbook.cgi?Str3File=C3669805): 159 ms
reading 36 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
36 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