Structure for Germane, trimethyl(phenylmethyl)-
Notice:The structure could not be displayed here becuse JavaScript and a HTML 5 canvas or WebGL enabled enabled browser is required.
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The Resolver thinks Mol
NIST 07091508243D 1 1.00000 -2465.74134
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:"2015-07-09"
cas.number:"2848-62-6"
method:"B3LYP/6-31G*"
dipole.moment:"0.5790 debye"
electronic.energy:"-2465.74133961 hartree"
ir.frequencies:"\"Frequency (cm-1)\" \"Intensity (km/mol)\"\n2.9821 0.0003\n59.7696 0.0017\n63.8101 0.0110\n108.8452 0.0028\n144.8428 0.0306\n151.9629 1.5471\n164.5219 0.8183\n169.3992 0.5749\n176.6398 0.9222\n180.3261 0.8470\n186.9277 1.4595\n235.0973 5.0950\n346.5018 0.0038\n416.0759 0.0004\n470.5206 10.6723\n563.1769 0.2884\n576.2449 9.5630\n615.7748 23.9764\n617.9685 17.3772\n625.8452 3.9995\n636.4543 0.2605\n712.9503 18.9773\n733.6436 0.1217\n746.4604 0.0278\n768.4421 24.2781\n800.4198 15.8996\n828.3389 24.5153\n841.2978 26.0576\n858.8987 2.2200\n875.2045 113.6566\n876.2109 35.7145\n880.8784 41.3786\n914.8692 4.1225\n962.2160 0.0046\n988.2724 0.2198\n1016.3066 0.0495\n1059.2781 2.5137\n1092.5737 8.9031\n1156.4695 0.0738\n1191.1887 0.1931\n1194.4242 17.8906\n1214.9599 0.5132\n1241.4442 32.2307\n1318.0932 11.9048\n1320.2125 9.5757\n1323.0339 3.8615\n1355.6775 2.1826\n1370.0309 0.5767\n1496.0023 3.4242\n1500.3593 5.1165\n1510.8932 0.9749\n1511.1500 0.5584\n1513.4482 0.2582\n1519.7095 0.2346\n1522.1007 2.9869\n1526.6044 3.7142\n1544.9010 22.2031\n1639.0439 1.5053\n1663.1987 22.0924\n3050.5779 11.5850\n3053.1409 21.8281\n3055.4214 13.1096\n3056.6861 4.4073\n3097.2706 9.3440\n3133.3794 1.4853\n3133.8213 3.3129\n3135.4688 19.0529\n3135.7391 33.9615\n3143.9055 7.5388\n3145.3203 19.3276\n3171.4306 12.5261\n3173.2062 3.7260\n3186.3588 6.8487\n3193.3061 46.0484\n3207.4647 24.8483"
rotational.constants:"1.80286 GHz\n0.46423 GHz\n0.43645 GHz"
software:"Gaussian 09, Revision D.01"
contributor:"Ashley Zhang"
Time for openFile(https://webbook.nist.gov/cgi/cbook.cgi?Str3File=C2848626): 241 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: 9 ms
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IR frequencies derived from structure calulation
IR frequencies derived from the computation which produced the structure are shown in the plot below. These data are not adjusted for any expected biases in the computational method.
Notice: A plot could not be displayed here becuse plotting data currently requires a JavaScript and HTML 5 canvas enabled browser.
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Frequency (cm-1)
Intensity (km/mol)
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Select a region with data to zoom. Select a region with no data or click the mouse on the plot to revert to the orginal display.
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Note: Numeric values for the IR frequencies are avialable in the SD file.
Additional information about this structure
| Owner: | Collection (C) 2016 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Computation date: | 2015-07-09 |
| Contributor(s): | Ashley Zhang |
| Computational method: | B3LYP/6-31G* |
| Computational software: | Gaussian 09, Revision D.01 |
| Electronic energy: | -2465.74133961 hartree |
| Dipole moment: | 0.5790 debye |
| Rotational constants: | 1.80286 GHz 0.46423 GHz 0.43645 GHz |