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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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You are here: Home > Geometry > Calculated > Calculated geometry OR Calculated > Geometry > Calculated geometry
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Geometry for Si(CH3)4 (tetramethylsilane)
1A1 TD
1910171554
InChI=1S/C4H12Si/c1-5(2,3)4/h1-4H3 INChIKey=CZDYPVPMEAXLPK-UHFFFAOYSA-N
MP2/6-31G**
Point group is Td
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| Si1 |
0.0000 |
0.0000 |
0.0000 |
|
0.0000 |
0.0000 |
0.0000 |
| C2 |
1.0896 |
1.0896 |
1.0896 |
|
1.0504 |
-1.2993 |
0.8274 |
| C3 |
-1.0896 |
-1.0896 |
1.0896 |
|
-1.1288 |
-0.8266 |
-1.2998 |
| C4 |
-1.0896 |
1.0896 |
-1.0896 |
|
1.1288 |
1.2993 |
-0.8274 |
| C5 |
1.0896 |
-1.0896 |
-1.0896 |
|
-1.0504 |
0.8266 |
1.2998 |
| H6 |
1.7326 |
0.4881 |
1.7326 |
|
0.4258 |
-2.0661 |
1.3157 |
| H7 |
1.7326 |
1.7326 |
0.4881 |
|
1.7150 |
-0.8520 |
1.5855 |
| H8 |
0.4881 |
1.7326 |
1.7326 |
|
1.6702 |
-1.7961 |
0.1009 |
| H9 |
-1.7326 |
-1.7326 |
0.4881 |
|
-1.7502 |
-0.1003 |
-1.7972 |
| H10 |
-0.4881 |
-1.7326 |
1.7326 |
|
-1.7950 |
-1.5844 |
-0.8521 |
| H11 |
-1.7326 |
-0.4881 |
1.7326 |
|
-0.5505 |
-1.3144 |
-2.0670 |
| H12 |
-1.7326 |
0.4881 |
-1.7326 |
|
0.5505 |
2.0661 |
-1.3157 |
| H13 |
-1.7326 |
1.7326 |
-0.4881 |
|
1.7502 |
0.8520 |
-1.5855 |
| H14 |
-0.4881 |
1.7326 |
-1.7326 |
|
1.7950 |
1.7961 |
-0.1009 |
| H15 |
1.7326 |
-1.7326 |
-0.4881 |
|
-1.7150 |
0.1003 |
1.7972 |
| H16 |
0.4881 |
-1.7326 |
-1.7326 |
|
-1.6702 |
1.5844 |
0.8521 |
| H17 |
1.7326 |
-0.4881 |
-1.7326 |
|
-0.4258 |
1.3144 |
2.0670 |
Atom - Atom Distances (Å)
| |
Si1 |
C2 |
C3 |
C4 |
C5 |
H6 |
H7 |
H8 |
H9 |
H10 |
H11 |
H12 |
H13 |
H14 |
H15 |
H16 |
H17 |
| Si1 |
| 1.8872 |
1.8872 |
1.8872 |
1.8872 |
2.4984 |
2.4984 |
2.4984 |
2.4984 |
2.4984 |
2.4984 |
2.4984 |
2.4984 |
2.4984 |
2.4984 |
2.4984 |
2.4984 |
| C2 |
1.8872 |
| 3.0818 |
3.0818 |
3.0818 |
1.0903 |
1.0903 |
1.0903 |
4.0362 |
3.2966 |
3.2966 |
4.0362 |
3.2966 |
3.2966 |
3.2966 |
4.0362 |
3.2966 |
| C3 |
1.8872 |
3.0818 |
| 3.0818 |
3.0818 |
3.2966 |
4.0362 |
3.2966 |
1.0903 |
1.0903 |
1.0903 |
3.2966 |
3.2966 |
4.0362 |
3.2966 |
3.2966 |
4.0362 |
| C4 |
1.8872 |
3.0818 |
3.0818 |
| 3.0818 |
4.0362 |
3.2966 |
3.2966 |
3.2966 |
4.0362 |
3.2966 |
1.0903 |
1.0903 |
1.0903 |
4.0362 |
3.2966 |
3.2966 |
| C5 |
1.8872 |
3.0818 |
3.0818 |
3.0818 |
| 3.2966 |
3.2966 |
4.0362 |
3.2966 |
3.2966 |
4.0362 |
3.2966 |
4.0362 |
3.2966 |
1.0903 |
1.0903 |
1.0903 |
| H6 |
2.4984 |
1.0903 |
3.2966 |
4.0362 |
3.2966 |
| 1.7600 |
1.7600 |
4.2998 |
3.1406 |
3.6001 |
4.9005 |
4.2998 |
4.2998 |
3.1406 |
4.2998 |
3.6001 |
| H7 |
2.4984 |
1.0903 |
4.0362 |
3.2966 |
3.2966 |
1.7600 |
| 1.7600 |
4.9005 |
4.2998 |
4.2998 |
4.2998 |
3.6001 |
3.1406 |
3.6001 |
4.2998 |
3.1406 |
| H8 |
2.4984 |
1.0903 |
3.2966 |
3.2966 |
4.0362 |
1.7600 |
1.7600 |
| 4.2998 |
3.6001 |
3.1406 |
4.2998 |
3.1406 |
3.6001 |
4.2998 |
4.9005 |
4.2998 |
| H9 |
2.4984 |
4.0362 |
1.0903 |
3.2966 |
3.2966 |
4.2998 |
4.9005 |
4.2998 |
| 1.7600 |
1.7600 |
3.1406 |
3.6001 |
4.2998 |
3.6001 |
3.1406 |
4.2998 |
| H10 |
2.4984 |
3.2966 |
1.0903 |
4.0362 |
3.2966 |
3.1406 |
4.2998 |
3.6001 |
1.7600 |
| 1.7600 |
4.2998 |
4.2998 |
4.9005 |
3.1406 |
3.6001 |
4.2998 |
| H11 |
2.4984 |
3.2966 |
1.0903 |
3.2966 |
4.0362 |
3.6001 |
4.2998 |
3.1406 |
1.7600 |
1.7600 |
| 3.6001 |
3.1406 |
4.2998 |
4.2998 |
4.2998 |
4.9005 |
| H12 |
2.4984 |
4.0362 |
3.2966 |
1.0903 |
3.2966 |
4.9005 |
4.2998 |
4.2998 |
3.1406 |
4.2998 |
3.6001 |
| 1.7600 |
1.7600 |
4.2998 |
3.1406 |
3.6001 |
| H13 |
2.4984 |
3.2966 |
3.2966 |
1.0903 |
4.0362 |
4.2998 |
3.6001 |
3.1406 |
3.6001 |
4.2998 |
3.1406 |
1.7600 |
| 1.7600 |
4.9005 |
4.2998 |
4.2998 |
| H14 |
2.4984 |
3.2966 |
4.0362 |
1.0903 |
3.2966 |
4.2998 |
3.1406 |
3.6001 |
4.2998 |
4.9005 |
4.2998 |
1.7600 |
1.7600 |
| 4.2998 |
3.6001 |
3.1406 |
| H15 |
2.4984 |
3.2966 |
3.2966 |
4.0362 |
1.0903 |
3.1406 |
3.6001 |
4.2998 |
3.6001 |
3.1406 |
4.2998 |
4.2998 |
4.9005 |
4.2998 |
| 1.7600 |
1.7600 |
| H16 |
2.4984 |
4.0362 |
3.2966 |
3.2966 |
1.0903 |
4.2998 |
4.2998 |
4.9005 |
3.1406 |
3.6001 |
4.2998 |
3.1406 |
4.2998 |
3.6001 |
1.7600 |
| 1.7600 |
| H17 |
2.4984 |
3.2966 |
4.0362 |
3.2966 |
1.0903 |
3.6001 |
3.1406 |
4.2998 |
4.2998 |
4.2998 |
4.9005 |
3.6001 |
4.2998 |
3.1406 |
1.7600 |
1.7600 |
|
Maximum atom distance is 4.9005Å
between atoms H6 and H12.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
|
C2 |
Si1 |
C3 |
109.471 |
|
C2 |
Si1 |
C4 |
109.471 |
|
C2 |
Si1 |
C5 |
109.471 |
|
C3 |
Si1 |
C4 |
109.471 |
|
C3 |
Si1 |
C5 |
109.471 |
|
C4 |
Si1 |
C5 |
109.471 |
Calculated Bond Angles (degrees) (Involving Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
|
Si1 |
C2 |
H6 |
111.255 |
|
Si1 |
C2 |
H7 |
111.255 |
|
Si1 |
C2 |
H8 |
111.255 |
|
Si1 |
C3 |
H9 |
111.255 |
|
Si1 |
C3 |
H10 |
111.255 |
|
Si1 |
C3 |
H11 |
111.255 |
|
Si1 |
C4 |
H12 |
111.255 |
|
Si1 |
C4 |
H13 |
111.255 |
|
Si1 |
C4 |
H14 |
111.255 |
|
Si1 |
C5 |
H15 |
111.255 |
|
Si1 |
C5 |
H16 |
111.255 |
|
Si1 |
C5 |
H17 |
111.255 |
|
H6 |
C2 |
H7 |
107.630 |
|
H6 |
C2 |
H8 |
107.630 |
|
H7 |
C2 |
H8 |
107.630 |
|
H9 |
C3 |
H10 |
107.630 |
|
H9 |
C3 |
H11 |
107.630 |
|
H10 |
C3 |
H11 |
107.630 |
|
H12 |
C4 |
H13 |
107.630 |
|
H12 |
C4 |
H14 |
107.630 |
|
H13 |
C4 |
H14 |
107.630 |
|
H15 |
C5 |
H16 |
107.630 |
|
H15 |
C5 |
H17 |
107.630 |
|
H16 |
C5 |
H17 |
107.630 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.