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Jmol JavaScript applet MoleculeDisplay__249114567761839__ initializing
Jmol getValue debug null
Jmol getValue logLevel null
Jmol getValue allowjavascript null
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setting document base to "https://webbook.nist.gov/cgi/inchi?Str3View=C6640251&Type=JSmol"
(C) 2015 Jmol Development
Jmol Version: 14.29.53 2019-08-18 15:32
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Jmol getValue emulate null
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Jmol getValue boxbgcolor null
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Jmol getValue ANIMFRAMECallback null
Jmol getValue APPLETREADYCallback Jmol._readyCallback
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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
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Jmol getValue SCRIPTCallback null
Jmol getValue SYNCCallback null
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Jmol getValue doTranslate null
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Jmol getValue script ;set multipleBondSpacing 0.35;
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Jmol getValue load null
script 1 started
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Jmol script terminated
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Jmol applet MoleculeDisplay__249114567761839__ ready
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FileManager.getAtomSetCollectionFromFile(https://webbook.nist.gov/cgi/inchi?Str3File=C6640251)
FileManager opening url https://webbook.nist.gov/cgi/inchi?Str3File=C6640251
The Resolver thinks Mol
Methanone, (4-chlorophenyl)cyclopropyl-
NIST 11071316233D 1 1.00000 -921.86811
Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved.
Methanone, (4-chlorophenyl)cyclopropyl-
copyright:"Collection (C) 2016 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved."
date:"2013-11-07"
cas.number:"6640-25-1"
synonyms:"Methanone, (4-chlorophenyl)cyclopropyl-\nKetone, p-chlorophenyl cyclopropyl\n(p-Chlorobenzoyl)cyclopropane\n4-Chlorophenyl cyclopropyl ketone"
method:"B3LYP/6-31G*"
dipole.moment:"2.7713 debye"
electronic.energy:"-921.868110175 hartree"
ir.frequencies:"\"Frequency (cm-1)\" \"Intensity (km/mol)\"\n38.9105 0.7923\n63.1625 0.0700\n75.8618 3.1126\n148.5337 1.7842\n181.4745 1.6750\n245.3633 1.1347\n270.0419 0.7550\n319.6783 0.3479\n330.0055 2.1043\n423.9894 0.0144\n466.1851 15.2895\n479.1930 20.1607\n556.2410 2.7075\n584.8166 5.9357\n642.5033 0.8013\n700.4597 5.1128\n750.8009 9.8535\n757.1161 9.3494\n796.9245 4.8824\n841.6500 12.1030\n847.5028 4.9213\n849.3179 48.9117\n887.1720 10.4843\n931.9252 50.8687\n970.4510 6.7695\n974.6858 5.6658\n1007.7995 89.7377\n1034.7842 10.4911\n1073.2761 4.4819\n1101.4239 4.3391\n1110.0008 71.7423\n1138.3886 3.4830\n1142.4943 2.3402\n1145.3189 1.7353\n1212.0150 3.4819\n1220.6175 1.5440\n1229.8856 1.0467\n1309.5775 188.3733\n1334.4367 2.2829\n1340.2318 7.8031\n1392.5680 19.9334\n1439.6587 15.8013\n1492.9736 3.1283\n1528.8359 1.1069\n1534.2898 15.4441\n1618.7484 4.2711\n1646.6413 79.9349\n1755.6905 187.5764\n3155.0634 10.7917\n3164.6403 9.9792\n3187.6711 4.4483\n3213.7950 5.2117\n3215.3231 0.5572\n3228.1711 7.3071\n3229.5563 0.2356\n3236.3976 3.3848\n3255.2264 11.6058"
rotational.constants:"1.97483 GHz\n0.39993 GHz\n0.36144 GHz"
software:"Gaussian 09, Revision D.01"
contributor:"Katherine Hafner"
Time for openFile(https://webbook.nist.gov/cgi/inchi?Str3File=C6640251): 1537 ms
reading 21 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
21 atoms created
ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation
Time for creating model: 7 ms
Methanone, (4-chlorophenyl)cyclopropyl-
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Jmol script terminated
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