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II.A.3. (XII.A.1.)

Listing of experimental geometry data for CH3SiH3 (methyl silane)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
1.87387 0.36640 0.36640
Rotational Constants from 1996Moa/Ozi:54
Calculated rotational constants for CH3SiH3 (methyl silane).

Point Group C3v

Internal coordinates (distances (r) in Å) (angles (a) in degrees) (dihedrals (d) in degrees)
Description Value Connectivity Reference Comment
Atom 1 Atom 2 Atom 3 Atom 4
rSiC 1.869 1 2 1998Kuc
rCH 1.096 1 3 1998Kuc
rSiH 1.483 2 6 1998Kuc
aHCSi 110.88 2 1 3 1998Kuc
aHSiC 110.5 1 2 6 1998Kuc
aHCH 108 3 1 4 1998Kuc From symmetry
aHSiH 108.42 6 2 7 1998Kuc From symmetry
picture of methyl silane

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
C-Si 1
H-C 3
H-Si 3

Atom x (Å) y (Å) z (Å)
C1 0.0000 0.0000 -1.2367
Si2 0.0000 0.0000 0.6319
H3 0.0000 -1.0237 -1.6272
H4 -0.8866 0.5119 -1.6272
H5 0.8866 0.5119 -1.6272
H6 0.0000 1.3893 1.1514
H7 -1.2031 -0.6946 1.1514
H8 1.2031 -0.6946 1.1514

Atom - Atom Distances (Å)
  C1 Si2 H3 H4 H5 H6 H7 H8
C11.86861.09571.09571.09572.76272.76272.7627
Si21.86862.48032.48032.48031.48321.48321.4832
H31.09572.48031.77321.77323.68013.04573.0457
H41.09572.48031.77321.77323.04573.04573.6801
H51.09572.48031.77321.77323.04573.68013.0457
H62.76271.48323.68013.04573.04572.40632.4063
H72.76271.48323.04573.04573.68012.40632.4063
H82.76271.48323.04573.68013.04572.40632.4063

Calculated geometries for CH3SiH3 (methyl silane).


References
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squib reference DOI
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 10.1006/jmsp.1996.0008
1998Kuc K Kuchitsu(ed) "Structure of Free Polyatomic Molecules - Basic Data" Springer, Berlin, 1998  

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