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__865836570509526__ initializing
Jmol getValue debug null
Jmol getValue logLevel null
Jmol getValue allowjavascript null
AppletRegistry.checkIn(MoleculeDisplay__865836570509526__)
vwrOptions:
{ "name":"MoleculeDisplay","applet":true,"documentBase":"https://webbook.nist.gov/cgi/cbook.cgi?Str3View=C31249953&Type=JSmol","platform":"J.awtjs.Platform","fullName":"MoleculeDisplay__865836570509526__","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":"865836570509526","bgcolor":"black" }
setting document base to "https://webbook.nist.gov/cgi/cbook.cgi?Str3View=C31249953&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__865836570509526__ ready
script 2 started
FileManager.getAtomSetCollectionFromFile(https://webbook.nist.gov/cgi/cbook.cgi?Str3File=C31249953)
FileManager opening url https://webbook.nist.gov/cgi/cbook.cgi?Str3File=C31249953
The Resolver thinks Mol
NIST 07081502013D 1 1.00000 -729.41328
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:"2015-07-08"
cas.number:"31249-95-3"
method:"B3LYP/6-31G*"
dipole.moment:"4.2310 debye"
electronic.energy:"-729.413283862 hartree"
ir.frequencies:"\"Frequency (cm-1)\" \"Intensity (km/mol)\"\n27.4620 0.6233\n58.5492 0.3593\n71.7395 0.1790\n92.2995 0.3074\n99.2464 0.5093\n123.2900 4.6790\n144.3020 4.0166\n156.1843 3.2363\n175.6368 1.9281\n197.9035 2.1814\n214.6971 1.2263\n242.7152 3.2281\n260.7721 4.5630\n294.0935 0.1818\n309.5255 3.2864\n337.3233 31.7897\n348.5597 2.2065\n378.5403 3.8590\n385.3164 2.6879\n458.6598 7.5035\n496.1589 3.2378\n514.3013 0.9140\n526.6914 17.7656\n561.8237 3.6620\n634.1317 152.1138\n741.9022 127.5758\n800.8473 0.8417\n805.1879 4.2128\n822.0000 2.0146\n833.2213 3.3978\n883.4701 22.2856\n900.9131 10.9480\n958.2577 9.4917\n962.9557 5.0746\n983.9890 41.5369\n997.2397 8.4116\n1032.4706 3.6871\n1046.0671 11.4983\n1054.8351 8.5551\n1079.5311 39.9883\n1080.0925 56.6536\n1105.4720 35.6466\n1116.6231 60.9754\n1138.5300 18.5977\n1147.7750 69.4490\n1154.1931 170.6568\n1175.1490 26.5999\n1180.3676 63.8669\n1189.2897 35.6094\n1196.0352 71.5053\n1208.1806 49.0413\n1249.4167 4.0882\n1262.2783 2.5751\n1277.4632 14.3003\n1293.8127 7.4615\n1301.9033 12.9015\n1319.6941 8.3697\n1328.0621 7.1899\n1331.8387 4.1697\n1352.8983 4.0551\n1363.1054 1.6906\n1366.9623 17.9610\n1374.4330 2.5850\n1396.5004 76.2859\n1406.7538 37.4925\n1413.7885 0.4059\n1415.9806 25.9378\n1443.4936 2.9236\n1449.9780 0.2732\n1458.8831 7.7930\n1476.5122 1.5007\n1488.3311 2.7008\n1499.0739 4.5925\n1512.8190 4.7527\n1519.0072 7.8619\n1521.6440 12.7040\n1524.5096 4.2796\n1530.5622 3.8978\n1532.7079 19.2905\n1535.7825 5.1672\n1550.3801 2.9204\n1550.9930 0.2920\n1567.2394 4.0712\n2951.5440 54.0391\n2957.1778 62.3364\n2958.9153 33.3017\n2972.9919 20.0801\n2986.6082 169.1242\n2989.8482 51.9078\n2991.9212 36.2273\n3011.8320 17.6566\n3019.1280 19.2317\n3024.7237 102.9887\n3027.4239 65.2524\n3029.5831 67.2961\n3038.5421 43.4253\n3054.2433 56.0028\n3081.8091 12.0651\n3085.7393 12.0946\n3092.3372 32.2488\n3097.7588 24.7536\n3103.7721 75.8124\n3116.5669 17.9533\n3502.8461 1.5509\n3513.1472 0.6691"
rotational.constants:"0.70688 GHz\n0.41493 GHz\n0.27624 GHz"
software:"Gaussian 09, Revision D.01"
contributor:"Avi Newman"
Time for openFile(https://webbook.nist.gov/cgi/cbook.cgi?Str3File=C31249953): 352 ms
reading 37 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
37 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