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Jmol JavaScript applet MoleculeDisplay__219377451985775__ initializing
Jmol getValue debug null
Jmol getValue logLevel null
Jmol getValue allowjavascript null
AppletRegistry.checkIn(MoleculeDisplay__219377451985775__)
vwrOptions:
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setting document base to "https://webbook.nist.gov/cgi/inchi?Str3View=C6290137&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)
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Jmol getValue emulate null
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Jmol getValue boxbgcolor null
Jmol getValue bgcolor black
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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
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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
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Jmol script terminated
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Jmol applet MoleculeDisplay__219377451985775__ ready
script 2 started
FileManager.getAtomSetCollectionFromFile(https://webbook.nist.gov/cgi/inchi?Str3File=C6290137)
FileManager opening url https://webbook.nist.gov/cgi/inchi?Str3File=C6290137
The Resolver thinks Mol
Butanoic acid, cyclopentyl ester
NIST 11121313213D 1 1.00000 -503.06693
Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved.
Butanoic acid, cyclopentyl ester
copyright:"Collection (C) 2016 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved."
date:"2013-11-12"
cas.number:"6290-13-7"
synonyms:"Butanoic acid, cyclopentyl ester\nButyric acid, cyclopentyl ester\nNsc 6542"
method:"B3LYP/6-31G*"
dipole.moment:"1.7697 debye"
electronic.energy:"-503.066929067 hartree"
ir.frequencies:"\"Frequency (cm-1)\" \"Intensity (km/mol)\"\n25.1508 0.0095\n35.6593 0.1115\n54.1533 1.5444\n69.2789 0.0363\n99.9841 0.5867\n128.7922 2.3509\n180.3540 0.6161\n246.9048 0.2366\n251.3201 8.1032\n298.9570 4.0835\n358.0359 3.7645\n405.9249 4.7738\n460.2604 0.2034\n584.1678 2.4648\n591.8469 0.6709\n700.0164 5.2730\n740.8702 0.3102\n756.4463 7.0371\n781.5404 1.9885\n847.4480 8.1098\n865.9146 1.0559\n895.9972 0.3989\n897.5690 3.4757\n910.1210 5.5289\n911.5973 3.1226\n933.1931 1.0821\n977.7438 3.0983\n995.9182 43.9659\n1025.4726 9.2477\n1058.0415 5.3825\n1061.0540 0.7659\n1107.8472 4.5442\n1134.3270 1.6461\n1137.7068 11.7795\n1200.0467 255.9151\n1209.2270 4.2787\n1221.7923 231.4287\n1234.0957 6.2781\n1265.9557 0.5306\n1276.6365 2.4272\n1298.0539 4.9796\n1328.1141 0.6918\n1339.6558 6.6924\n1346.8659 87.9703\n1355.9910 4.4672\n1371.1155 3.1013\n1373.2387 0.2906\n1403.9471 10.5127\n1430.2181 46.3053\n1443.8204 1.5268\n1491.8176 9.7552\n1506.2502 5.6530\n1512.2552 0.3346\n1519.1253 2.9568\n1523.6730 3.5646\n1530.6395 6.1927\n1538.1055 4.4704\n1544.5222 1.7475\n1814.7673 191.6405\n3040.3250 19.6489\n3043.4043 17.4463\n3050.9843 21.6197\n3058.9593 27.4035\n3062.9373 21.3141\n3065.5592 29.7251\n3069.3078 3.8407\n3079.1709 25.2059\n3089.9301 0.0378\n3098.9285 23.9262\n3111.9987 23.0860\n3113.3907 65.7533\n3115.5947 40.1408\n3119.2860 30.2299\n3128.4557 9.5667\n3132.9860 51.8913"
rotational.constants:"2.71694 GHz\n0.46279 GHz\n0.44500 GHz"
software:"Gaussian 09, Revision D.01"
contributor:"Katherine Hafner"
Time for openFile(https://webbook.nist.gov/cgi/inchi?Str3File=C6290137): 342 ms
reading 27 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
27 atoms created
ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation
Time for creating model: 12 ms
Butanoic acid, cyclopentyl ester
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Jmol script terminated
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