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__072727457708285__ initializing
Jmol getValue debug null
Jmol getValue logLevel null
Jmol getValue allowjavascript null
AppletRegistry.checkIn(MoleculeDisplay__072727457708285__)
vwrOptions:
{ "name":"MoleculeDisplay","applet":true,"documentBase":"https://webbook.nist.gov/cgi/inchi?Str3View=C115800&Type=JSmol","platform":"J.awtjs.Platform","fullName":"MoleculeDisplay__072727457708285__","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":"072727457708285","bgcolor":"black" }
setting document base to "https://webbook.nist.gov/cgi/inchi?Str3View=C115800&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__072727457708285__ ready
script 2 started
FileManager.getAtomSetCollectionFromFile(https://webbook.nist.gov/cgi/inchi?Str3File=C115800)
FileManager opening url https://webbook.nist.gov/cgi/inchi?Str3File=C115800
The Resolver thinks Mol
NIST 07011522313D 1 1.00000 -580.66940
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:"2015-07-01"
cas.number:"115-80-0"
method:"B3LYP/6-31G*"
dipole.moment:"1.1581 debye"
electronic.energy:"-580.669396709 hartree"
ir.frequencies:"\"Frequency (cm-1)\" \"Intensity (km/mol)\"\n38.4732 0.0788\n55.0234 0.1531\n61.1472 0.1334\n74.3423 0.7862\n85.3411 3.0234\n107.5237 3.5124\n119.1618 0.4557\n127.3167 0.1903\n194.6907 0.8865\n221.1762 0.5612\n226.9587 0.4621\n236.9375 1.2891\n262.2598 0.5245\n271.4697 1.9054\n298.7441 2.2516\n337.1558 0.7676\n343.6381 7.4350\n363.5361 3.9398\n399.7415 1.5578\n468.8924 15.1411\n560.4592 3.3354\n575.6889 1.1826\n662.7233 0.7535\n748.0755 0.9246\n795.0236 1.4654\n819.0103 2.3857\n831.2744 0.5771\n835.8751 0.3031\n896.3064 2.2901\n920.1569 2.2401\n953.8281 1.3176\n991.7214 48.3515\n1014.8318 67.5998\n1029.5867 144.8375\n1074.5291 159.4837\n1089.7364 227.3497\n1097.8924 92.8097\n1118.4684 43.3543\n1130.6830 74.2063\n1149.4316 9.2090\n1153.2165 45.8847\n1190.5852 50.7423\n1198.0698 7.9926\n1202.6963 21.3424\n1224.7995 127.4388\n1246.4435 150.0759\n1309.2611 0.9683\n1314.4498 2.1880\n1326.7162 41.2458\n1339.2977 17.8513\n1395.0944 11.5091\n1414.5927 7.1756\n1420.1155 0.3013\n1420.5176 1.5625\n1435.8359 8.8854\n1441.4248 4.5753\n1445.6484 8.9016\n1449.4798 19.3258\n1514.1114 3.1059\n1514.4437 2.3327\n1515.1285 5.3162\n1516.4415 3.9845\n1524.7827 2.8805\n1527.6738 0.3295\n1531.3353 1.1803\n1531.8085 3.0201\n1540.8765 9.7897\n1542.9546 0.6554\n1557.5620 0.9404\n1558.9865 0.2612\n3017.5980 22.4748\n3019.0986 68.0802\n3051.6700 25.0879\n3057.2204 18.3214\n3057.4083 40.6571\n3057.8203 33.0365\n3061.4855 30.8622\n3066.5615 8.1353\n3069.5332 34.4099\n3097.6167 11.8145\n3104.9248 10.8273\n3111.7566 11.7047\n3126.5436 39.0665\n3126.9854 9.3839\n3127.5067 45.2614\n3128.2381 33.7407\n3134.7072 36.0699\n3135.6577 38.2803\n3145.3089 29.4110\n3152.4200 30.3587"
rotational.constants:"0.85780 GHz\n0.67607 GHz\n0.60895 GHz"
software:"Gaussian 09, Revision D.01"
contributor:"Ashley Zhang"
Time for openFile(https://webbook.nist.gov/cgi/inchi?Str3File=C115800): 96 ms
reading 32 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
32 atoms created
ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation
Time for creating model: 34 ms
Script completed
Jmol script terminated
__Exporter exportScale: 10
__Exporter exportScale: 10