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__7418527086132487__ initializing
Jmol getValue debug null
Jmol getValue logLevel null
Jmol getValue allowjavascript null
AppletRegistry.checkIn(MoleculeDisplay__7418527086132487__)
vwrOptions:
{ "name":"MoleculeDisplay","applet":true,"documentBase":"https://webbook.nist.gov/cgi/inchi?Str3View=R308800&Type=JSmol","platform":"J.awtjs.Platform","fullName":"MoleculeDisplay__7418527086132487__","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":"7418527086132487","bgcolor":"black" }
setting document base to "https://webbook.nist.gov/cgi/inchi?Str3View=R308800&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__7418527086132487__ ready
script 2 started
FileManager.getAtomSetCollectionFromFile(https://webbook.nist.gov/cgi/inchi?Str3File=R308800)
FileManager opening url https://webbook.nist.gov/cgi/inchi?Str3File=R308800
The Resolver thinks Mol
NIST 07161213453D 1 1.00000 -1317.68033
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:"2012-07-16"
webbook.id:"R308800"
method:"B3LYP/6-31G*"
dipole.moment:"5.8871 debye"
electronic.energy:"-1317.68032617 hartree"
ir.frequencies:"\"Frequency (cm-1)\" \"Intensity (km/mol)\"\n10.4345 0.1227\n14.9034 5.0915\n18.8148 0.8804\n30.8344 0.5396\n41.4492 0.3932\n43.0674 0.1622\n52.6089 0.0755\n62.1462 0.5002\n70.7298 2.4732\n82.8952 1.1181\n94.1792 0.4046\n101.3319 0.2088\n114.6789 0.4422\n119.6562 0.3610\n122.8016 0.5120\n124.5791 0.5054\n136.2029 0.4119\n143.0829 0.5741\n161.0595 0.4632\n163.1825 0.1290\n167.8401 0.1344\n187.9934 2.4872\n198.8163 1.1183\n202.8333 0.6887\n233.0116 3.4508\n255.0416 0.0450\n261.4957 0.5237\n300.6663 2.9144\n338.6207 0.1606\n357.3298 1.9227\n410.7913 1.0951\n424.9027 0.3364\n440.4672 6.7232\n466.7269 1.1550\n493.6715 3.5157\n529.9377 1.8117\n547.1681 3.7175\n555.7236 5.8473\n598.2738 6.9131\n662.4182 30.3719\n738.1581 5.9270\n739.6541 4.2968\n740.7145 0.7965\n753.1412 0.1937\n753.8392 6.5199\n785.7385 1.5651\n801.7693 1.3674\n836.5049 9.8506\n844.5098 3.3057\n884.3226 3.5614\n896.8332 2.3068\n906.3397 1.3441\n951.5581 9.4656\n966.9728 2.1771\n996.7255 0.9814\n1004.5244 2.9456\n1013.5260 0.2123\n1021.5531 1.6458\n1037.6650 1.5908\n1039.0221 0.0460\n1047.4891 0.7912\n1056.4285 14.0433\n1059.8448 0.5011\n1069.9546 4.4984\n1072.3402 0.5418\n1074.8066 0.7041\n1076.2452 0.6451\n1091.5887 31.7064\n1093.5115 20.3086\n1111.3258 14.7429\n1134.6545 13.7585\n1144.3109 1.5012\n1148.3945 6.2504\n1158.1842 149.4764\n1177.0113 0.5614\n1179.7230 10.1200\n1230.3316 29.6872\n1235.3885 36.0574\n1237.6061 2.7719\n1246.6094 68.7490\n1257.4900 6.0810\n1272.2200 18.3893\n1278.7796 15.2709\n1286.9255 16.3913\n1297.8370 6.8069\n1314.8025 24.0017\n1319.6076 3.7089\n1332.6216 12.7335\n1335.7123 6.2805\n1338.2311 2.1997\n1342.7115 3.9962\n1344.6751 1.4125\n1346.8521 6.5686\n1349.6905 4.1447\n1352.9870 0.2220\n1356.7712 8.8098\n1357.3082 9.5551\n1378.3932 9.8431\n1387.6791 9.5505\n1401.7190 25.8785\n1415.8016 0.9887\n1419.1215 12.0983\n1423.9746 2.4219\n1425.9560 0.1145\n1427.5623 11.9159\n1429.0443 7.1817\n1442.8610 1.1379\n1486.7249 8.5473\n1503.3506 0.7346\n1506.4063 2.9971\n1513.1441 0.8571\n1513.7602 0.3667\n1514.4697 0.2123\n1515.8356 0.1979\n1516.9626 0.3131\n1518.0475 0.5407\n1520.8127 0.3324\n1525.9674 19.3993\n1526.5438 1.0463\n1529.7090 1.6871\n1530.1856 8.0124\n1531.2947 5.8489\n1536.9564 0.1490\n1538.6456 0.2872\n1544.1186 4.0932\n1545.0206 4.4668\n1847.4212 255.3567\n3008.4010 4.3151\n3010.6976 0.1797\n3012.6739 2.5675\n3013.5907 7.4271\n3017.1773 0.5956\n3017.7528 0.7380\n3023.2606 6.1859\n3023.9634 4.1582\n3027.5071 86.0933\n3029.5672 86.5084\n3029.7854 13.8481\n3032.1610 21.4482\n3032.5587 21.9164\n3034.8451 8.6444\n3035.2782 10.6438\n3041.6409 13.0542\n3042.1291 40.5184\n3048.2521 3.1112\n3048.2808 34.9587\n3049.9772 27.9242\n3057.9909 1.9639\n3059.9275 5.6154\n3061.4967 34.8692\n3061.6336 0.1672\n3067.4974 19.2295\n3073.7312 78.5294\n3074.2625 72.2716\n3087.3664 16.0107\n3095.8961 57.0448\n3102.9568 40.9924\n3103.6797 66.0109\n3106.5537 81.6682\n3112.2527 44.4317\n3113.7440 43.8397\n3162.3224 25.8896"
rotational.constants:"0.45047 GHz\n0.03973 GHz\n0.03701 GHz"
software:"Gaussian 09, Revision C.01"
contributor:"Daniel Du"
Time for openFile(https://webbook.nist.gov/cgi/inchi?Str3File=R308800): 165 ms
reading 56 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
56 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