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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
MP2=FULL/aug-cc-pVDZ
Point group is C2v
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
C1 |
0.0000 |
0.0000 |
-1.1697 |
|
-1.1697 |
0.0000 |
0.0000 |
Si2 |
0.0000 |
0.0000 |
0.5574 |
|
0.5574 |
0.0000 |
0.0000 |
H3 |
0.0000 |
0.9303 |
-1.7446 |
|
-1.7446 |
0.9303 |
0.0000 |
H4 |
0.0000 |
-0.9303 |
-1.7446 |
|
-1.7446 |
-0.9303 |
0.0000 |
H5 |
0.0000 |
1.2471 |
1.3522 |
|
1.3522 |
1.2471 |
0.0000 |
H6 |
0.0000 |
-1.2471 |
1.3522 |
|
1.3522 |
-1.2471 |
0.0000 |
Atom - Atom Distances (Å)
|
C1 |
Si2 |
H3 |
H4 |
H5 |
H6 |
C1 |
| 1.7270 |
1.0936 |
1.0936 |
2.8134 |
2.8134 |
Si2 |
1.7270 |
| 2.4828 |
2.4828 |
1.4789 |
1.4789 |
H3 |
1.0936 |
2.4828 |
| 1.8606 |
3.1130 |
3.7857 |
H4 |
1.0936 |
2.4828 |
1.8606 |
| 3.7857 |
3.1130 |
H5 |
2.8134 |
1.4789 |
3.1130 |
3.7857 |
| 2.4942 |
H6 |
2.8134 |
1.4789 |
3.7857 |
3.1130 |
2.4942 |
|
Maximum atom distance is 3.7857Å
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 |
122.512 |
|
C1 |
Si2 |
H6 |
122.512 |
Si2 |
C1 |
H3 |
121.716 |
|
Si2 |
C1 |
H4 |
121.716 |
H3 |
C1 |
H4 |
116.567 |
|
H5 |
Si2 |
H6 |
114.977 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.