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__1341990785358225__ initializing
Jmol getValue debug null
Jmol getValue logLevel null
Jmol getValue allowjavascript null
AppletRegistry.checkIn(MoleculeDisplay__1341990785358225__)
vwrOptions:
{ "name":"MoleculeDisplay","applet":true,"documentBase":"https://webbook.nist.gov/cgi/inchi?Str3View=C2095172&Type=JSmol","platform":"J.awtjs.Platform","fullName":"MoleculeDisplay__1341990785358225__","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":"1341990785358225","bgcolor":"black" }
setting document base to "https://webbook.nist.gov/cgi/inchi?Str3View=C2095172&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__1341990785358225__ ready
script 2 started
FileManager.getAtomSetCollectionFromFile(https://webbook.nist.gov/cgi/inchi?Str3File=C2095172)
FileManager opening url https://webbook.nist.gov/cgi/inchi?Str3File=C2095172
The Resolver thinks Mol
NIST 08101209283D 1 1.00000 -1548.50901
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:"2012-08-10"
cas.number:"2095-17-2"
method:"B3LYP/6-31G*"
dipole.moment:"3.4063 debye"
electronic.energy:"-1548.50900859 hartree"
ir.frequencies:"\"Frequency (cm-1)\" \"Intensity (km/mol)\"\n37.7786 0.1981\n46.4533 0.2534\n57.0387 0.3986\n65.2769 5.9376\n95.1870 0.4804\n126.8673 0.4759\n133.7559 0.6736\n177.9369 0.1749\n185.8845 0.4976\n219.4411 0.1328\n238.3631 2.3010\n259.0504 4.6711\n273.4834 50.3814\n304.5112 0.8019\n309.9905 1.1190\n336.2411 1.3792\n363.9372 3.3073\n392.7465 1.2680\n431.7857 4.6251\n450.1543 5.2361\n452.2628 2.7066\n475.6953 11.2095\n495.8092 9.6799\n542.4668 2.8290\n561.9146 6.2346\n593.4533 5.4752\n619.1435 4.4715\n639.3362 1.9500\n696.1980 2.2975\n710.6778 0.3456\n733.6789 1.5634\n746.7798 11.2564\n765.7695 41.8736\n775.3980 1.7588\n810.8229 19.6216\n815.4657 21.4680\n853.6183 37.4462\n865.0997 21.7428\n869.2590 5.2214\n900.3215 152.1007\n934.7483 1.2590\n942.3034 0.4576\n951.9712 20.0500\n973.8149 0.1692\n995.5307 2.3867\n1042.8802 5.8657\n1065.6490 16.1841\n1069.4409 12.2522\n1078.0792 0.9297\n1097.3817 9.0260\n1119.7269 30.9110\n1129.7092 28.6548\n1151.0023 6.1548\n1159.2039 18.8498\n1172.8602 6.1160\n1197.4474 8.6448\n1199.5201 12.5631\n1259.7549 59.7285\n1278.6132 51.2056\n1290.0351 38.6275\n1316.4416 22.0658\n1328.6349 1.7051\n1331.1122 55.5377\n1338.7776 11.3811\n1350.0562 1.7142\n1352.5455 18.9691\n1376.2810 12.4426\n1422.1249 33.0132\n1454.3289 31.8075\n1455.7008 28.5024\n1488.6201 16.9279\n1504.0627 242.1876\n1526.5596 1.9370\n1532.1416 19.5181\n1537.7635 1.4693\n1550.7766 0.2810\n1611.7428 22.2233\n1623.4674 58.0636\n1630.4870 6.0218\n1651.3159 24.4251\n1698.2710 25.6685\n2937.1363 81.8142\n2990.1474 40.0565\n3047.1995 1.7339\n3061.1378 52.2619\n3112.5527 0.5088\n3129.8667 33.7687\n3189.7693 1.4353\n3199.1601 8.6397\n3204.7130 3.6811\n3211.9648 26.6192\n3219.3229 15.3053\n3233.2987 2.9541\n3241.7448 1.8375\n3462.1678 2.4075\n3547.3995 0.7758"
rotational.constants:"0.35425 GHz\n0.23415 GHz\n0.16645 GHz"
software:"Gaussian 09, Revision C.01"
contributor:"Alexander Yang"
Time for openFile(https://webbook.nist.gov/cgi/inchi?Str3File=C2095172): 325 ms
reading 34 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
34 atoms created
ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation
Time for creating model: 13 ms
Script completed
Jmol script terminated
__Exporter exportScale: 10
__Exporter exportScale: 10