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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 Si(CH3)4 (tetramethylsilane)
1A1 TD
1910171554
InChI=1S/C4H12Si/c1-5(2,3)4/h1-4H3 INChIKey=CZDYPVPMEAXLPK-UHFFFAOYSA-N
wB97X-D/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 |
1.0871 |
1.0871 |
1.0871 |
|
1.5196 |
0.3640 |
1.0507 |
C3 |
-1.0871 |
-1.0871 |
1.0871 |
|
0.4893 |
-1.0911 |
-1.4546 |
C4 |
-1.0871 |
1.0871 |
-1.0871 |
|
-1.2882 |
-0.8895 |
1.0464 |
C5 |
1.0871 |
-1.0871 |
-1.0871 |
|
-0.7207 |
1.6166 |
-0.6425 |
H6 |
1.7349 |
0.4850 |
1.7349 |
|
2.2920 |
0.8829 |
0.4712 |
H7 |
1.7349 |
1.7349 |
0.4850 |
|
1.2702 |
0.9988 |
1.9088 |
H8 |
0.4850 |
1.7349 |
1.7349 |
|
1.9658 |
-0.5576 |
1.4420 |
H9 |
-1.7349 |
-1.7349 |
0.4850 |
|
-0.3739 |
-1.3232 |
-2.0890 |
H10 |
-0.4850 |
-1.7349 |
1.7349 |
|
1.2400 |
-0.6026 |
-2.0866 |
H11 |
-1.7349 |
-0.4850 |
1.7349 |
|
0.9138 |
-2.0432 |
-1.1158 |
H12 |
-1.7349 |
0.4850 |
-1.7349 |
|
-2.1887 |
-1.1174 |
0.4644 |
H13 |
-1.7349 |
1.7349 |
-0.4850 |
|
-0.9009 |
-1.8374 |
1.4377 |
H14 |
-0.4850 |
1.7349 |
-1.7349 |
|
-1.5965 |
-0.2810 |
1.9045 |
H15 |
1.7349 |
-1.7349 |
-0.4850 |
|
0.0046 |
2.1618 |
-1.2575 |
H16 |
0.4850 |
-1.7349 |
-1.7349 |
|
-1.6093 |
1.4413 |
-1.2599 |
H17 |
1.7349 |
-0.4850 |
-1.7349 |
|
-1.0171 |
2.2777 |
0.1801 |
Atom - Atom Distances (Å)
|
Si1 |
C2 |
C3 |
C4 |
C5 |
H6 |
H7 |
H8 |
H9 |
H10 |
H11 |
H12 |
H13 |
H14 |
H15 |
H16 |
H17 |
Si1 |
| 1.8830 |
1.8830 |
1.8830 |
1.8830 |
2.5009 |
2.5009 |
2.5009 |
2.5009 |
2.5009 |
2.5009 |
2.5009 |
2.5009 |
2.5009 |
2.5009 |
2.5009 |
2.5009 |
C2 |
1.8830 |
| 3.0749 |
3.0749 |
3.0749 |
1.0962 |
1.0962 |
1.0962 |
4.0361 |
3.2947 |
3.2947 |
4.0361 |
3.2947 |
3.2947 |
3.2947 |
4.0361 |
3.2947 |
C3 |
1.8830 |
3.0749 |
| 3.0749 |
3.0749 |
3.2947 |
4.0361 |
3.2947 |
1.0962 |
1.0962 |
1.0962 |
3.2947 |
3.2947 |
4.0361 |
3.2947 |
3.2947 |
4.0361 |
C4 |
1.8830 |
3.0749 |
3.0749 |
| 3.0749 |
4.0361 |
3.2947 |
3.2947 |
3.2947 |
4.0361 |
3.2947 |
1.0962 |
1.0962 |
1.0962 |
4.0361 |
3.2947 |
3.2947 |
C5 |
1.8830 |
3.0749 |
3.0749 |
3.0749 |
| 3.2947 |
3.2947 |
4.0361 |
3.2947 |
3.2947 |
4.0361 |
3.2947 |
4.0361 |
3.2947 |
1.0962 |
1.0962 |
1.0962 |
H6 |
2.5009 |
1.0962 |
3.2947 |
4.0361 |
3.2947 |
| 1.7675 |
1.7675 |
4.3045 |
3.1394 |
3.6028 |
4.9069 |
4.3045 |
4.3045 |
3.1394 |
4.3045 |
3.6028 |
H7 |
2.5009 |
1.0962 |
4.0361 |
3.2947 |
3.2947 |
1.7675 |
| 1.7675 |
4.9069 |
4.3045 |
4.3045 |
4.3045 |
3.6028 |
3.1394 |
3.6028 |
4.3045 |
3.1394 |
H8 |
2.5009 |
1.0962 |
3.2947 |
3.2947 |
4.0361 |
1.7675 |
1.7675 |
| 4.3045 |
3.6028 |
3.1394 |
4.3045 |
3.1394 |
3.6028 |
4.3045 |
4.9069 |
4.3045 |
H9 |
2.5009 |
4.0361 |
1.0962 |
3.2947 |
3.2947 |
4.3045 |
4.9069 |
4.3045 |
| 1.7675 |
1.7675 |
3.1394 |
3.6028 |
4.3045 |
3.6028 |
3.1394 |
4.3045 |
H10 |
2.5009 |
3.2947 |
1.0962 |
4.0361 |
3.2947 |
3.1394 |
4.3045 |
3.6028 |
1.7675 |
| 1.7675 |
4.3045 |
4.3045 |
4.9069 |
3.1394 |
3.6028 |
4.3045 |
H11 |
2.5009 |
3.2947 |
1.0962 |
3.2947 |
4.0361 |
3.6028 |
4.3045 |
3.1394 |
1.7675 |
1.7675 |
| 3.6028 |
3.1394 |
4.3045 |
4.3045 |
4.3045 |
4.9069 |
H12 |
2.5009 |
4.0361 |
3.2947 |
1.0962 |
3.2947 |
4.9069 |
4.3045 |
4.3045 |
3.1394 |
4.3045 |
3.6028 |
| 1.7675 |
1.7675 |
4.3045 |
3.1394 |
3.6028 |
H13 |
2.5009 |
3.2947 |
3.2947 |
1.0962 |
4.0361 |
4.3045 |
3.6028 |
3.1394 |
3.6028 |
4.3045 |
3.1394 |
1.7675 |
| 1.7675 |
4.9069 |
4.3045 |
4.3045 |
H14 |
2.5009 |
3.2947 |
4.0361 |
1.0962 |
3.2947 |
4.3045 |
3.1394 |
3.6028 |
4.3045 |
4.9069 |
4.3045 |
1.7675 |
1.7675 |
| 4.3045 |
3.6028 |
3.1394 |
H15 |
2.5009 |
3.2947 |
3.2947 |
4.0361 |
1.0962 |
3.1394 |
3.6028 |
4.3045 |
3.6028 |
3.1394 |
4.3045 |
4.3045 |
4.9069 |
4.3045 |
| 1.7675 |
1.7675 |
H16 |
2.5009 |
4.0361 |
3.2947 |
3.2947 |
1.0962 |
4.3045 |
4.3045 |
4.9069 |
3.1394 |
3.6028 |
4.3045 |
3.1394 |
4.3045 |
3.6028 |
1.7675 |
| 1.7675 |
H17 |
2.5009 |
3.2947 |
4.0361 |
3.2947 |
1.0962 |
3.6028 |
3.1394 |
4.3045 |
4.3045 |
4.3045 |
4.9069 |
3.6028 |
4.3045 |
3.1394 |
1.7675 |
1.7675 |
|
Maximum atom distance is 4.9069Å
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 |
111.418 |
|
Si1 |
C2 |
H7 |
111.418 |
Si1 |
C2 |
H8 |
111.418 |
|
Si1 |
C3 |
H9 |
111.418 |
Si1 |
C3 |
H10 |
111.418 |
|
Si1 |
C3 |
H11 |
111.418 |
Si1 |
C4 |
H12 |
111.418 |
|
Si1 |
C4 |
H13 |
111.418 |
Si1 |
C4 |
H14 |
111.418 |
|
Si1 |
C5 |
H15 |
111.418 |
Si1 |
C5 |
H16 |
111.418 |
|
Si1 |
C5 |
H17 |
111.418 |
H6 |
C2 |
H7 |
107.457 |
|
H6 |
C2 |
H8 |
107.457 |
H7 |
C2 |
H8 |
107.457 |
|
H9 |
C3 |
H10 |
107.457 |
H9 |
C3 |
H11 |
107.457 |
|
H10 |
C3 |
H11 |
107.457 |
H12 |
C4 |
H13 |
107.457 |
|
H12 |
C4 |
H14 |
107.457 |
H13 |
C4 |
H14 |
107.457 |
|
H15 |
C5 |
H16 |
107.457 |
H15 |
C5 |
H17 |
107.457 |
|
H16 |
C5 |
H17 |
107.457 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.