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__530676476444276__ initializing
Jmol getValue debug null
Jmol getValue logLevel null
Jmol getValue allowjavascript null
AppletRegistry.checkIn(MoleculeDisplay__530676476444276__)
vwrOptions:
{ "name":"MoleculeDisplay","applet":true,"documentBase":"https://webbook.nist.gov/cgi/cbook.cgi?Str3View=C4957168&Type=JSmol","platform":"J.awtjs.Platform","fullName":"MoleculeDisplay__530676476444276__","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":"530676476444276","bgcolor":"black" }
setting document base to "https://webbook.nist.gov/cgi/cbook.cgi?Str3View=C4957168&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__530676476444276__ ready
script 2 started
FileManager.getAtomSetCollectionFromFile(https://webbook.nist.gov/cgi/cbook.cgi?Str3File=C4957168)
FileManager opening url https://webbook.nist.gov/cgi/cbook.cgi?Str3File=C4957168
The Resolver thinks Mol
NIST 06281210083D 1 1.00000 -738.51898
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:"2012-06-28"
cas.number:"4957-16-8"
method:"B3LYP/6-31G*"
dipole.moment:"0.2441 debye"
electronic.energy:"-738.518975129 hartree"
ir.frequencies:"\"Frequency (cm-1)\" \"Intensity (km/mol)\"\n17.2115 0.0087\n29.4651 0.0160\n46.2524 0.0869\n100.5041 0.0328\n111.3957 0.0679\n135.9360 0.1701\n143.3876 1.1187\n145.3135 0.5719\n149.3934 1.3529\n157.2649 0.7666\n175.6317 0.0441\n182.1209 1.1334\n189.1886 0.2255\n200.3976 0.5033\n253.9341 0.1444\n258.4241 0.0412\n290.4132 0.0291\n293.6305 0.3266\n298.5734 0.4452\n308.4263 0.4669\n315.8310 0.1132\n347.3812 0.0158\n361.9044 0.0360\n446.2498 0.2357\n452.7674 1.0340\n462.3654 2.7114\n476.1586 0.9446\n504.9432 0.8691\n521.8868 0.0856\n527.6334 0.1490\n567.3625 0.4025\n594.3721 0.0261\n621.7383 0.1859\n673.0789 0.4867\n702.1847 3.3432\n723.2721 0.1231\n739.0346 0.2681\n761.7870 0.0118\n769.0035 0.3088\n832.8645 2.6112\n844.5608 1.6665\n881.1130 9.0824\n890.9830 7.9476\n902.7778 0.5438\n909.0734 3.4717\n966.2597 2.2670\n1016.6363 1.8126\n1017.4701 1.2651\n1027.5462 11.2197\n1028.9088 17.4038\n1052.3105 3.0734\n1054.4586 0.8249\n1058.1837 4.4339\n1058.7714 4.4297\n1071.6314 2.2896\n1074.5243 4.4943\n1076.1226 0.2734\n1084.5237 0.1214\n1085.0573 0.0518\n1098.3435 1.3551\n1200.1500 6.7870\n1204.5677 0.8223\n1231.4398 3.4461\n1233.9025 0.9189\n1242.4869 1.1560\n1293.0407 0.4484\n1300.0274 0.6739\n1309.3656 6.1609\n1324.7974 1.3701\n1332.3551 0.5362\n1350.1094 0.3064\n1369.9553 7.3335\n1427.1622 0.4504\n1431.7060 1.7375\n1440.6960 0.8445\n1442.6178 0.6333\n1447.5187 2.1870\n1449.0904 1.7602\n1449.9549 2.2636\n1450.8519 0.5580\n1504.3989 2.7388\n1507.3048 0.0515\n1508.3280 0.0879\n1515.8729 6.5806\n1516.7958 5.4370\n1519.5847 1.2084\n1521.3705 13.5829\n1522.6194 6.8495\n1523.5645 11.3256\n1524.1394 0.9953\n1525.2883 8.0392\n1530.0539 20.9776\n1531.7733 25.6473\n1549.6640 23.6922\n1553.5504 19.8370\n1613.5344 0.5298\n1615.8034 0.1336\n1674.3965 1.2930\n1676.1249 1.8109\n3021.4092 26.5144\n3032.5337 70.2657\n3032.8625 1.4377\n3033.2238 16.0122\n3034.3235 58.8102\n3034.7287 58.0597\n3038.0440 19.5735\n3050.6319 21.0975\n3078.0582 30.1631\n3078.6061 28.5879\n3078.6874 38.8131\n3080.2033 5.3919\n3080.5805 5.3736\n3092.5703 15.5572\n3121.5126 32.3300\n3121.8064 20.0960\n3122.3481 34.2170\n3123.7152 2.6307\n3124.4284 11.6551\n3125.0902 18.8615\n3163.5789 40.7739\n3163.7685 40.6464\n3166.8475 6.9125\n3194.0312 7.1744"
rotational.constants:"0.65632 GHz\n0.19666 GHz\n0.18093 GHz"
software:"Gaussian 09, Revision C.01"
contributor:"Katherine Hafner"
Time for openFile(https://webbook.nist.gov/cgi/cbook.cgi?Str3File=C4957168): 58 ms
reading 43 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
43 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