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__463231315642151__ initializing
Jmol getValue debug null
Jmol getValue logLevel null
Jmol getValue allowjavascript null
AppletRegistry.checkIn(MoleculeDisplay__463231315642151__)
vwrOptions:
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setting document base to "https://webbook.nist.gov/cgi/cbook.cgi?Str3View=C107715899&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__463231315642151__ ready
script 2 started
FileManager.getAtomSetCollectionFromFile(https://webbook.nist.gov/cgi/cbook.cgi?Str3File=C107715899)
FileManager opening url https://webbook.nist.gov/cgi/cbook.cgi?Str3File=C107715899
The Resolver thinks Mol
NIST 07021513103D 1 1.00000 -1455.64452
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:"2015-07-02"
cas.number:"107715-89-9"
method:"B3LYP/6-31G*"
dipole.moment:"1.8346 debye"
electronic.energy:"-1455.64452422 hartree"
ir.frequencies:"\"Frequency (cm-1)\" \"Intensity (km/mol)\"\n20.3702 0.0429\n22.2172 0.0793\n33.2600 0.0884\n41.2816 0.0041\n45.5950 0.1267\n48.0325 0.1571\n57.6310 0.5031\n62.3260 0.2718\n85.8972 1.1324\n102.5750 0.1833\n118.5908 0.2970\n127.7928 0.3758\n134.4219 0.3160\n141.5863 0.0579\n145.1109 0.3556\n145.5772 0.3009\n156.5275 1.2167\n165.6188 2.3978\n166.7310 0.0395\n170.3689 0.2298\n200.2058 0.6130\n208.6655 2.2362\n214.1568 0.1577\n216.0773 3.6902\n224.8028 0.3388\n226.7751 0.1382\n236.6827 0.3403\n246.9993 0.9271\n251.1943 0.6450\n254.6655 2.0648\n258.1252 0.2714\n278.6313 0.4250\n282.4657 1.1203\n294.8584 0.5121\n299.0248 0.4044\n303.7176 0.3539\n314.3399 0.9447\n315.7750 5.5886\n320.2459 1.3719\n332.1433 11.3783\n352.8204 1.5812\n355.1508 12.5469\n388.9700 2.5143\n394.5714 0.8507\n396.6146 2.8230\n398.5036 4.2666\n409.8062 7.4148\n422.7989 94.9279\n469.5495 15.0811\n529.8094 13.2945\n559.2745 5.9176\n575.0000 19.9462\n640.7197 9.1887\n657.9546 33.5442\n679.0007 5.4754\n692.2460 6.3776\n697.1995 5.5072\n721.5786 4.3444\n758.5928 62.4074\n775.5743 2.6250\n779.0526 30.6337\n783.0790 13.2586\n811.7531 70.6896\n824.6058 9.9972\n827.7745 37.2063\n829.9382 22.7349\n854.6452 22.5327\n862.9358 147.1893\n870.3549 138.9667\n887.7964 78.6138\n897.2946 134.7561\n926.5399 97.7931\n942.2275 77.8413\n954.7747 2.9246\n955.3117 3.6608\n956.7066 4.9037\n958.4560 4.5345\n965.3677 27.6870\n973.7205 0.1444\n974.7297 0.2078\n978.7622 23.0916\n1040.4865 8.3978\n1041.1085 3.0603\n1045.0132 3.2802\n1045.8361 4.2284\n1082.8617 82.9313\n1130.1421 16.6829\n1172.7973 111.3515\n1211.6825 7.7441\n1222.9845 0.2330\n1224.1982 0.1693\n1225.4843 0.9707\n1226.6390 0.2209\n1243.1397 0.6173\n1249.3863 2.9565\n1274.8956 257.0363\n1308.1933 15.0177\n1309.2121 105.7603\n1325.9786 41.7246\n1328.1065 43.1027\n1333.2073 76.2449\n1333.8189 5.9563\n1371.4034 1.5375\n1386.0451 2.2003\n1423.8168 3.7696\n1425.2524 2.5168\n1426.7395 0.5076\n1428.2490 1.8017\n1428.9213 2.4328\n1441.5957 8.0431\n1457.9143 2.0621\n1458.8805 2.3484\n1466.1311 75.4194\n1484.2496 0.5345\n1488.8851 0.9971\n1494.7697 1.5191\n1495.8365 4.8628\n1497.9832 1.5293\n1498.7233 6.7882\n1504.6850 2.2091\n1506.7202 15.8864\n1515.6529 1.1505\n1516.7819 0.4152\n1517.5529 0.3676\n1519.2468 0.2014\n1520.1361 0.4819\n1520.4971 1.0419\n1522.5655 0.7476\n1525.6388 1.3192\n1533.5075 9.4499\n1537.1827 7.0715\n1538.9087 4.0156\n1540.1206 3.2749\n1541.9501 6.4577\n1542.9907 7.7641\n1545.8601 16.6628\n1548.2346 9.9159\n1782.6730 175.9108\n3016.0976 30.2472\n3017.9662 26.8788\n3023.4551 26.6607\n3023.7954 7.0839\n3024.0723 86.9255\n3030.4122 54.1907\n3032.5852 16.9971\n3045.3237 17.1052\n3046.0195 15.7790\n3047.2181 4.6178\n3051.1745 17.5630\n3051.7097 3.5774\n3053.4674 6.2980\n3075.4145 11.9485\n3077.5414 17.0568\n3082.1086 57.9074\n3082.6042 15.3305\n3085.9471 15.7213\n3087.8541 15.5259\n3089.7026 63.7438\n3102.1854 26.9533\n3102.4923 34.7809\n3107.4071 16.3166\n3108.3550 20.8720\n3109.1749 62.2447\n3111.7518 40.1495\n3112.3448 31.0926\n3115.1934 10.4904\n3115.2399 52.9399\n3115.9830 8.2562\n3119.7864 10.0288\n3123.1192 10.1361\n3123.5028 32.3766\n3124.9797 17.1643\n3126.3298 18.5996\n3126.9850 36.6526\n3142.6816 4.2472\n3146.9618 4.9839\n3567.4377 11.8223"
rotational.constants:"0.30901 GHz\n0.16308 GHz\n0.13800 GHz"
software:"Gaussian 09, Revision D.01"
contributor:"Daniel Graham"
Time for openFile(https://webbook.nist.gov/cgi/cbook.cgi?Str3File=C107715899): 352 ms
reading 61 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
61 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