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__750393048026721__ initializing
Jmol getValue debug null
Jmol getValue logLevel null
Jmol getValue allowjavascript null
AppletRegistry.checkIn(MoleculeDisplay__750393048026721__)
vwrOptions:
{ "name":"MoleculeDisplay","applet":true,"documentBase":"https://webbook.nist.gov/cgi/inchi?Str3View=U131073&Type=JSmol","platform":"J.awtjs.Platform","fullName":"MoleculeDisplay__750393048026721__","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":"750393048026721","bgcolor":"black" }
setting document base to "https://webbook.nist.gov/cgi/inchi?Str3View=U131073&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__750393048026721__ ready
script 2 started
FileManager.getAtomSetCollectionFromFile(https://webbook.nist.gov/cgi/inchi?Str3File=U131073)
FileManager opening url https://webbook.nist.gov/cgi/inchi?Str3File=U131073
The Resolver thinks Mol
NIST 07041500173D 1 1.00000 -935.49314
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:"2015-07-04"
webbook.id:"U131073"
method:"B3LYP/6-31G*"
dipole.moment:"1.8748 debye"
electronic.energy:"-935.493144382 hartree"
ir.frequencies:"\"Frequency (cm-1)\" \"Intensity (km/mol)\"\n7.1552 0.0152\n14.9557 0.4706\n17.7456 0.4920\n27.4629 0.6680\n36.4961 0.7261\n43.6550 0.0472\n49.2180 1.2661\n53.3106 0.1873\n59.4178 0.1873\n66.7496 0.0340\n73.9652 0.4977\n84.5073 0.3621\n93.1356 0.0944\n100.3922 0.0300\n109.4548 0.6284\n125.7205 0.1767\n129.8534 0.2160\n140.8109 0.0144\n148.3754 0.0085\n155.7859 0.0445\n164.4397 0.1562\n171.0631 0.1332\n174.5092 0.2735\n210.5885 0.1231\n238.4045 0.8485\n251.0930 0.0109\n264.5098 0.3413\n298.4074 1.0501\n301.0747 9.9066\n325.3632 1.3024\n348.5172 0.3737\n399.3044 1.9989\n410.0487 1.9781\n451.5953 2.0094\n463.2801 1.2706\n490.7045 1.8289\n517.4824 1.3697\n546.1274 3.2714\n597.0848 7.5456\n606.9188 7.0008\n658.5139 6.8243\n734.7894 20.4012\n738.4107 2.6157\n738.7528 4.0188\n741.4518 2.7581\n751.2076 1.9453\n753.5676 3.7597\n770.3608 2.4503\n801.7404 1.4529\n809.6823 1.3958\n846.4006 5.0361\n876.4355 4.6266\n899.8595 2.3369\n905.9240 1.5229\n926.4731 3.0079\n946.6571 0.8733\n981.5962 2.3015\n991.1219 4.0272\n993.7032 2.0804\n1005.5925 0.7572\n1007.9393 1.2564\n1016.6329 0.0455\n1017.6539 0.0806\n1028.2683 1.3725\n1033.4100 1.6536\n1041.8608 0.4420\n1049.5974 6.9927\n1059.1035 0.9568\n1063.1531 10.6061\n1063.8395 4.8891\n1070.6468 25.5004\n1072.5678 1.0696\n1072.8461 0.6206\n1075.2538 10.7996\n1076.8531 36.0562\n1082.4423 53.1625\n1121.3742 1.2886\n1128.6235 0.7635\n1142.5123 2.1832\n1193.6556 0.3681\n1216.1757 1.5633\n1234.7021 3.0700\n1237.7760 0.1752\n1247.1458 3.7884\n1259.1862 7.8878\n1267.5776 34.8303\n1274.8858 195.7492\n1283.1794 151.9028\n1291.1870 3.4348\n1304.5597 13.3153\n1308.4032 12.5366\n1316.3525 5.8445\n1324.5599 3.3358\n1332.5047 0.5259\n1334.8941 0.6024\n1339.3068 0.6825\n1342.1090 12.2856\n1344.5532 0.3096\n1345.2449 0.8557\n1349.6872 3.5826\n1350.8356 0.5347\n1353.8853 0.0068\n1357.1328 3.5433\n1371.7227 0.7944\n1379.1706 2.8519\n1400.6633 0.8650\n1412.8839 0.7115\n1417.9733 8.4940\n1421.5865 39.6133\n1425.5162 0.6055\n1426.7875 1.1064\n1428.0679 0.6663\n1443.7353 1.1397\n1444.0248 5.9482\n1456.4734 14.0433\n1501.1038 13.0270\n1505.4321 0.3735\n1505.5984 7.7858\n1513.1955 1.9625\n1513.6349 0.1301\n1514.4672 0.0195\n1514.8532 1.1732\n1515.8843 3.6082\n1517.6670 0.0328\n1518.7528 5.3623\n1520.3330 0.2713\n1525.2931 1.0486\n1527.2510 0.1786\n1530.6575 5.7464\n1534.3180 1.2547\n1536.1883 0.5411\n1541.2341 0.0721\n1543.6178 3.7919\n1545.7039 5.6112\n1743.5786 0.5645\n1829.0024 198.1272\n3007.6846 13.1412\n3009.0378 12.7492\n3010.9484 2.5372\n3011.7533 0.5603\n3012.2031 7.5128\n3013.9220 4.7458\n3014.1424 9.2310\n3015.5854 0.9391\n3019.3372 0.0627\n3024.0454 1.4125\n3025.3862 5.2894\n3028.7408 47.8738\n3029.3176 235.8592\n3032.0891 0.6294\n3032.5140 5.6904\n3034.8539 11.1952\n3039.3960 2.7007\n3041.5687 41.5462\n3043.2863 5.8847\n3045.6489 9.0317\n3049.1604 24.3065\n3057.9865 1.8295\n3059.3944 5.7231\n3067.4490 5.7194\n3070.8582 46.7054\n3071.6405 3.0815\n3076.2732 125.7479\n3081.8391 102.7342\n3083.5988 33.4494\n3093.2999 59.1706\n3094.8199 48.1012\n3105.9908 69.9131\n3110.5998 45.2938\n3120.2530 16.8865\n3133.6745 6.8075\n3139.8996 26.2115\n3144.1977 63.6828\n3182.7538 8.4150"
rotational.constants:"0.41011 GHz\n0.03683 GHz\n0.03430 GHz"
software:"Gaussian 09, Revision D.01"
contributor:"Sarah Wollman"
Time for openFile(https://webbook.nist.gov/cgi/inchi?Str3File=U131073): 178 ms
reading 60 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
60 atoms created
ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation
Time for creating model: 9 ms
Script completed
Jmol script terminated
__Exporter exportScale: 10
__Exporter exportScale: 10