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Jmol getValue allowjavascript null
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setting document base to "https://webbook.nist.gov/cgi/inchi?Str3View=C6630202&Type=JSmol"
(C) 2015 Jmol Development
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Jmol getValue APPLETREADYCallback Jmol._readyCallback
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FileManager.getAtomSetCollectionFromFile(https://webbook.nist.gov/cgi/inchi?Str3File=C6630202)
FileManager opening url https://webbook.nist.gov/cgi/inchi?Str3File=C6630202
The Resolver thinks Mol
1,2-Ethanediol, 1,2-bis(6-methyl-2-pyridinyl)-
NIST 11121313213D 1 1.00000 -803.08008
Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved.
1,2-Ethanediol, 1,2-bis(6-methyl-2-pyridinyl)-
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:"6630-20-2"
synonyms:"1,2-Ethanediol, 1,2-bis(6-methyl-2-pyridinyl)-\nNsc 60034"
method:"B3LYP/6-31G*"
dipole.moment:"0.0002 debye"
electronic.energy:"-803.080079618 hartree"
ir.frequencies:"\"Frequency (cm-1)\" \"Intensity (km/mol)\"\n22.6272 0.2408\n36.4163 2.3087\n50.2769 0.0000\n74.0563 1.6632\n79.7985 0.0000\n83.8048 2.9929\n126.0918 0.0000\n193.6424 0.0000\n195.6271 4.5290\n207.9361 2.8254\n209.8582 0.0000\n229.4704 0.0000\n242.5803 3.4693\n366.7387 0.0000\n369.6653 12.9316\n396.0570 14.0782\n397.2813 0.0000\n436.1549 0.0000\n448.2485 6.9244\n457.9872 6.8504\n506.4200 0.0000\n547.2637 136.5610\n556.9420 0.0000\n561.6838 2.9501\n570.7982 0.0000\n611.6312 0.0000\n621.9270 0.4027\n636.6032 6.7152\n675.5302 0.0000\n740.7008 12.6247\n743.7364 0.0000\n765.1553 6.7235\n786.8498 0.0000\n809.0900 52.7455\n831.8327 0.0000\n913.9211 0.0000\n915.9170 2.4260\n946.4328 5.7007\n964.6967 0.0000\n1002.7154 0.0000\n1003.0970 1.1601\n1016.7524 4.3482\n1017.5367 0.0000\n1035.3977 0.0000\n1046.4657 3.1823\n1059.8510 0.0000\n1075.4931 10.6376\n1075.9386 0.0001\n1104.8104 127.5187\n1109.8960 0.0011\n1128.8349 0.0001\n1131.4502 30.0543\n1193.8653 0.0001\n1193.9490 1.5277\n1232.3421 39.7772\n1243.0369 0.0000\n1268.9731 8.4217\n1275.3217 0.0000\n1289.8984 10.2913\n1302.3018 0.0002\n1304.2388 28.5802\n1340.4808 30.9851\n1342.3984 0.0000\n1375.0189 0.0000\n1439.0218 8.1132\n1439.1553 0.0004\n1467.1288 0.0000\n1468.0480 8.3510\n1471.8073 426.8575\n1485.5525 0.0000\n1508.2148 0.5769\n1508.2190 11.5074\n1509.6436 140.5266\n1516.9507 0.0000\n1525.1830 51.7678\n1525.6363 0.0000\n1635.7036 129.3855\n1637.8580 0.0000\n1650.7786 81.0738\n1651.4518 0.0000\n3013.2379 0.0000\n3029.6334 61.4037\n3054.5835 38.3204\n3054.6211 0.1706\n3112.1008 1.5028\n3112.1135 25.2733\n3138.1471 33.0582\n3138.1628 3.1038\n3192.2042 18.6928\n3192.2078 0.3870\n3209.7264 47.3283\n3209.8425 0.0000\n3253.0723 0.0193\n3253.1328 2.6546\n3508.7000 540.5004\n3509.5517 0.3386"
rotational.constants:"1.13527 GHz\n0.19735 GHz\n0.17364 GHz"
software:"Gaussian 09, Revision D.01"
contributor:"Katherine Hafner"
Time for openFile(https://webbook.nist.gov/cgi/inchi?Str3File=C6630202): 103 ms
reading 34 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
34 atoms created
ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation
Time for creating model: 7 ms
1,2-Ethanediol, 1,2-bis(6-methyl-2-pyridinyl)-
Script completed
Jmol script terminated
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