National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 18October 2016
NIST Standard Reference Database 101
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II.B.6.

Experimental Barriers to Internal Rotation for CH3SiH3 (methyl silane)

Data from:
1996Moa/Ozi:54
N Moazzen-Ahmadi, I Ozier, GA McRae, EA Cohen,"Millimeter-Wave spectra of CH3SiH3 in the two interacting Torsional States nu12=0, nu6=3 and nu12=1,nu6=0, J. Mol. Spect. 175, 54-61, 1966
V3=591.41, V6=2.9197, V9=0.2658 cm-1
torsion index Angle Energy (kJ mol-1) Energy (cm-1)
1 0 7.07 591
1 15 6.06 506
1 30 3.57 299
1 45 1.05 88
1 60 0.00 0
1 75 1.05 88
1 90 3.57 299
1 105 6.06 506
1 120 7.07 591
1 135 6.06 506
1 150 3.57 299
1 165 1.05 88
1 180 0.00 0
1 195 1.05 88
1 210 3.57 299
1 225 6.06 506
1 240 7.07 591
1 255 6.06 506
1 270 3.57 299
1 285 1.05 88
1 300 0.00 0
1 315 1.05 88
1 330 3.57 299
1 345 6.06 506
1 360 7.07 591

Atoms in torsion 1 are 3, 1, 2, 6
The rotor type is CH3

picture of methyl silane

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