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__9417795274862244__ initializing
Jmol getValue debug null
Jmol getValue logLevel null
Jmol getValue allowjavascript null
AppletRegistry.checkIn(MoleculeDisplay__9417795274862244__)
vwrOptions:
{ "name":"MoleculeDisplay","applet":true,"documentBase":"https://webbook.nist.gov/cgi/inchi?Str3View=C85698562&Type=JSmol","platform":"J.awtjs.Platform","fullName":"MoleculeDisplay__9417795274862244__","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":"9417795274862244","bgcolor":"black" }
setting document base to "https://webbook.nist.gov/cgi/inchi?Str3View=C85698562&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__9417795274862244__ ready
script 2 started
FileManager.getAtomSetCollectionFromFile(https://webbook.nist.gov/cgi/inchi?Str3File=C85698562)
FileManager opening url https://webbook.nist.gov/cgi/inchi?Str3File=C85698562
The Resolver thinks Mol
NIST 07091508583D 1 1.00000 -684.72040
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:"2015-07-09"
cas.number:"85698-56-2"
method:"B3LYP/6-31G*"
dipole.moment:"1.0865 debye"
electronic.energy:"-684.720396101 hartree"
ir.frequencies:"\"Frequency (cm-1)\" \"Intensity (km/mol)\"\n28.8627 4.0477\n85.8208 1.2047\n92.7037 4.7094\n103.7186 7.1060\n115.2870 4.6242\n149.9967 0.0078\n163.9989 0.6489\n185.2020 1.3823\n233.0219 4.5205\n245.4327 3.6675\n251.3715 3.7984\n254.7586 7.9768\n314.1153 17.0487\n367.1292 80.6116\n377.7700 154.9732\n431.5949 1.5125\n455.3927 42.2911\n471.2130 5.4690\n472.2289 4.0890\n489.0397 1.5418\n586.3222 24.4117\n592.0969 0.6768\n602.4642 14.3686\n683.0972 0.7005\n685.1331 6.8799\n750.2513 0.1264\n753.6411 1.7295\n791.8867 0.2039\n823.2187 55.4552\n827.1292 3.3935\n855.2537 50.0529\n903.6652 31.1800\n923.2029 0.0351\n963.6845 0.0585\n967.4625 0.0656\n970.3344 0.0070\n1004.3393 31.6530\n1010.2943 0.0466\n1087.0203 10.7960\n1097.7999 0.7806\n1102.3512 19.6651\n1136.7958 0.2849\n1142.2348 5.7775\n1159.8493 0.2163\n1160.7113 22.7927\n1186.8791 0.2915\n1190.1748 5.7318\n1235.9088 0.6431\n1302.3328 27.4587\n1312.8399 0.0574\n1317.5865 52.7829\n1341.7676 0.0178\n1364.9932 86.7502\n1375.5936 0.3138\n1432.3797 45.9277\n1475.3882 0.3762\n1490.6818 47.1870\n1504.5427 1.1841\n1509.0101 20.2996\n1512.8594 18.3119\n1514.3280 9.7045\n1518.9729 1.3459\n1533.6969 122.1747\n1547.7579 0.2600\n1554.0083 164.4301\n1561.5689 1.0268\n1623.2526 200.4322\n1626.6771 0.3165\n1651.5393 730.2139\n1663.7620 0.3335\n3013.2081 69.9088\n3013.4395 59.3360\n3088.9293 31.9348\n3090.3165 32.6412\n3141.7111 34.0925\n3141.9317 18.7276\n3158.3586 55.0845\n3158.6015 9.9620\n3186.5249 65.8746\n3186.9620 6.8535\n3252.7653 5.8703\n3254.2734 2.4872\n3615.5446 24.2704\n3616.2795 21.1982"
rotational.constants:"1.13989 GHz\n0.27632 GHz\n0.22326 GHz"
software:"Gaussian 09, Revision D.01"
contributor:"Avi Newman"
Time for openFile(https://webbook.nist.gov/cgi/inchi?Str3File=C85698562): 205 ms
reading 30 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
30 atoms created
ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation
Time for creating model: 20 ms
Script completed
Jmol script terminated
__Exporter exportScale: 10
__Exporter exportScale: 10