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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 CH2SiH2 (silaethylene)
1A1 C2V
1910171554
InChI=1S/CH4Si/c1-2/h1-2H2 INChIKey=CBZNDCXNWNCBHK-UHFFFAOYSA-N
B3PW91/3-21G*
Point group is C2v
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| C1 |
0.0000 |
0.0000 |
-1.1576 |
|
-1.1576 |
0.0000 |
0.0000 |
| Si2 |
0.0000 |
0.0000 |
0.5520 |
|
0.5520 |
0.0000 |
0.0000 |
| H3 |
0.0000 |
0.9185 |
-1.7412 |
|
-1.7412 |
0.9185 |
0.0000 |
| H4 |
0.0000 |
-0.9185 |
-1.7412 |
|
-1.7412 |
-0.9185 |
0.0000 |
| H5 |
0.0000 |
1.2484 |
1.3503 |
|
1.3503 |
1.2484 |
0.0000 |
| H6 |
0.0000 |
-1.2484 |
1.3503 |
|
1.3503 |
-1.2484 |
0.0000 |
Atom - Atom Distances (Å)
| |
C1 |
Si2 |
H3 |
H4 |
H5 |
H6 |
| C1 |
| 1.7096 |
1.0882 |
1.0882 |
2.8015 |
2.8015 |
| Si2 |
1.7096 |
| 2.4703 |
2.4703 |
1.4818 |
1.4818 |
| H3 |
1.0882 |
2.4703 |
| 1.8370 |
3.1090 |
3.7753 |
| H4 |
1.0882 |
2.4703 |
1.8370 |
| 3.7753 |
3.1090 |
| H5 |
2.8015 |
1.4818 |
3.1090 |
3.7753 |
| 2.4968 |
| H6 |
2.8015 |
1.4818 |
3.7753 |
3.1090 |
2.4968 |
|
Maximum atom distance is 3.7753Å
between atoms H3 and H6.
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 |
H5 |
122.598 |
|
C1 |
Si2 |
H6 |
122.598 |
|
Si2 |
C1 |
H3 |
122.429 |
|
Si2 |
C1 |
H4 |
122.429 |
|
H3 |
C1 |
H4 |
115.141 |
|
H5 |
Si2 |
H6 |
114.804 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.