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Computational Chemistry Comparison and Benchmark DataBase
Release 22 (May 2022) Standard Reference Database 101
National Institute of Standards and Technology
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Geometry for CH3SiH3 (methyl silane)
1A1 C3
1910171554
InChI=1S/CH6Si/c1-2/h1-2H3 INChIKey=UIUXUFNYAYAMOE-UHFFFAOYSA-N
HF/CEP-31G
Point group is C3v
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
C1 |
0.0000 |
0.0000 |
0.9870 |
|
0.9870 |
0.0000 |
0.0000 |
Si2 |
0.0000 |
0.0000 |
-0.9246 |
|
-0.9246 |
0.0000 |
0.0000 |
H3 |
0.0000 |
1.0196 |
1.3740 |
|
1.3740 |
0.6349 |
0.7978 |
H4 |
-0.8830 |
-0.5098 |
1.3740 |
|
1.3740 |
-1.0084 |
0.1509 |
H5 |
0.8830 |
-0.5098 |
1.3740 |
|
1.3740 |
0.3735 |
-0.9488 |
H6 |
0.0000 |
-1.4046 |
-1.4572 |
|
-1.4572 |
-0.8746 |
-1.0990 |
H7 |
-1.2164 |
0.7023 |
-1.4572 |
|
-1.4572 |
-0.5145 |
1.3069 |
H8 |
1.2164 |
0.7023 |
-1.4572 |
|
-1.4572 |
1.3891 |
-0.2079 |
Atom - Atom Distances (Å)
|
C1 |
Si2 |
H3 |
H4 |
H5 |
H6 |
H7 |
H8 |
C1 |
| 1.9117 |
1.0906 |
1.0906 |
1.0906 |
2.8190 |
2.8190 |
2.8190 |
Si2 |
1.9117 |
| 2.5146 |
2.5146 |
2.5146 |
1.5021 |
1.5021 |
1.5021 |
H3 |
1.0906 |
2.5146 |
| 1.7660 |
1.7660 |
3.7272 |
3.0977 |
3.0977 |
H4 |
1.0906 |
2.5146 |
1.7660 |
| 1.7660 |
3.0977 |
3.0977 |
3.7272 |
H5 |
1.0906 |
2.5146 |
1.7660 |
1.7660 |
| 3.0977 |
3.7272 |
3.0977 |
H6 |
2.8190 |
1.5021 |
3.7272 |
3.0977 |
3.0977 |
| 2.4328 |
2.4328 |
H7 |
2.8190 |
1.5021 |
3.0977 |
3.0977 |
3.7272 |
2.4328 |
| 2.4328 |
H8 |
2.8190 |
1.5021 |
3.0977 |
3.7272 |
3.0977 |
2.4328 |
2.4328 |
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Maximum atom distance is 3.7272Å
between atoms H4 and H8.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
C1 |
Si2 |
H6 |
110.764 |
|
C1 |
Si2 |
H7 |
110.764 |
C1 |
Si2 |
H8 |
110.764 |
|
Si2 |
C1 |
H3 |
110.780 |
Si2 |
C1 |
H4 |
110.780 |
|
Si2 |
C1 |
H5 |
110.780 |
H3 |
C1 |
H4 |
108.131 |
|
H3 |
C1 |
H5 |
108.131 |
H4 |
C1 |
H5 |
108.131 |
|
H6 |
Si2 |
H7 |
108.148 |
H6 |
Si2 |
H8 |
108.148 |
|
H7 |
Si2 |
H8 |
108.148 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.