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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 SiH(CH3)3 (trimethylsilane)
1A1 C3V
1910171554
InChI=1S/C3H10Si/c1-4(2)3/h4H,1-3H3 INChIKey=PQDJYEQOELDLCP-UHFFFAOYSA-N
wB97X-D/6-31G*
Point group is C3v
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| Si1 |
0.0000 |
0.0000 |
0.3269 |
|
0.0000 |
0.0000 |
0.3269 |
| H2 |
0.0000 |
0.0000 |
1.8392 |
|
0.0000 |
0.0000 |
1.8392 |
| C3 |
0.0000 |
1.5460 |
-0.1996 |
|
1.1998 |
0.9750 |
-0.1996 |
| C4 |
1.3389 |
-0.7730 |
-0.1996 |
|
-1.4443 |
0.5516 |
-0.1996 |
| C5 |
-1.3389 |
-0.7730 |
-0.1996 |
|
0.2445 |
-1.5266 |
-0.1996 |
| H6 |
0.0000 |
1.5600 |
-1.2423 |
|
1.2107 |
0.9838 |
-1.2423 |
| H7 |
1.3510 |
-0.7800 |
-1.2423 |
|
-1.4573 |
0.5565 |
-1.2423 |
| H8 |
-1.3510 |
-0.7800 |
-1.2423 |
|
0.2467 |
-1.5404 |
-1.2423 |
| H9 |
-0.8540 |
2.0451 |
0.1508 |
|
2.1257 |
0.6270 |
0.1508 |
| H10 |
0.8540 |
2.0451 |
0.1508 |
|
1.0485 |
1.9525 |
0.1508 |
| H11 |
2.1981 |
-0.2829 |
0.1508 |
|
-1.6058 |
1.5274 |
0.1508 |
| H12 |
1.3441 |
-1.7621 |
0.1508 |
|
-2.2152 |
-0.0682 |
0.1508 |
| H13 |
-1.3441 |
-1.7621 |
0.1508 |
|
-0.5199 |
-2.1544 |
0.1508 |
| H14 |
-2.1981 |
-0.2829 |
0.1508 |
|
1.1667 |
-1.8843 |
0.1508 |
Atom - Atom Distances (Å)
| |
Si1 |
H2 |
C3 |
C4 |
C5 |
H6 |
H7 |
H8 |
H9 |
H10 |
H11 |
H12 |
H13 |
H14 |
| Si1 |
| 1.5123 |
1.6332 |
1.6332 |
1.6332 |
2.2126 |
2.2126 |
2.2126 |
2.2232 |
2.2232 |
2.2232 |
2.2232 |
2.2232 |
2.2232 |
| H2 |
1.5123 |
| 2.5587 |
2.5587 |
2.5587 |
3.4538 |
3.4538 |
3.4538 |
2.7861 |
2.7861 |
2.7861 |
2.7861 |
2.7861 |
2.7861 |
| C3 |
1.6332 |
2.5587 |
| 2.6778 |
2.6778 |
1.0427 |
2.8849 |
2.8849 |
1.0494 |
1.0494 |
2.8809 |
3.5879 |
3.5879 |
2.8809 |
| C4 |
1.6332 |
2.5587 |
2.6778 |
| 2.6778 |
2.8849 |
1.0427 |
2.8849 |
3.5879 |
2.8809 |
1.0494 |
1.0494 |
2.8809 |
3.5879 |
| C5 |
1.6332 |
2.5587 |
2.6778 |
2.6778 |
| 2.8849 |
2.8849 |
1.0427 |
2.8809 |
3.5879 |
3.5879 |
2.8809 |
1.0494 |
1.0494 |
| H6 |
2.2126 |
3.4538 |
1.0427 |
2.8849 |
2.8849 |
| 2.7020 |
2.7020 |
1.7045 |
1.7045 |
3.1888 |
3.8450 |
3.8450 |
3.1888 |
| H7 |
2.2126 |
3.4538 |
2.8849 |
1.0427 |
2.8849 |
2.7020 |
| 2.7020 |
3.8450 |
3.1888 |
1.7045 |
1.7045 |
3.1888 |
3.8450 |
| H8 |
2.2126 |
3.4538 |
2.8849 |
2.8849 |
1.0427 |
2.7020 |
2.7020 |
| 3.1888 |
3.8450 |
3.8450 |
3.1888 |
1.7045 |
1.7045 |
| H9 |
2.2232 |
2.7861 |
1.0494 |
3.5879 |
2.8809 |
1.7045 |
3.8450 |
3.1888 |
| 1.7080 |
3.8386 |
4.3962 |
3.8386 |
2.6882 |
| H10 |
2.2232 |
2.7861 |
1.0494 |
2.8809 |
3.5879 |
1.7045 |
3.1888 |
3.8450 |
1.7080 |
| 2.6882 |
3.8386 |
4.3962 |
3.8386 |
| H11 |
2.2232 |
2.7861 |
2.8809 |
1.0494 |
3.5879 |
3.1888 |
1.7045 |
3.8450 |
3.8386 |
2.6882 |
| 1.7080 |
3.8386 |
4.3962 |
| H12 |
2.2232 |
2.7861 |
3.5879 |
1.0494 |
2.8809 |
3.8450 |
1.7045 |
3.1888 |
4.3962 |
3.8386 |
1.7080 |
| 2.6882 |
3.8386 |
| H13 |
2.2232 |
2.7861 |
3.5879 |
2.8809 |
1.0494 |
3.8450 |
3.1888 |
1.7045 |
3.8386 |
4.3962 |
3.8386 |
2.6882 |
| 1.7080 |
| H14 |
2.2232 |
2.7861 |
2.8809 |
3.5879 |
1.0494 |
3.1888 |
3.8450 |
1.7045 |
2.6882 |
3.8386 |
4.3962 |
3.8386 |
1.7080 |
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Maximum atom distance is 4.3962Å
between atoms H9 and H12.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
|
C3 |
Si1 |
C4 |
110.128 |
|
C3 |
Si1 |
C5 |
110.128 |
|
C4 |
Si1 |
C5 |
110.128 |
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Calculated Bond Angles (degrees) (Involving Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
|
Si1 |
C3 |
H6 |
109.574 |
|
Si1 |
C3 |
H9 |
110.031 |
|
Si1 |
C3 |
H10 |
110.031 |
|
Si1 |
C4 |
H7 |
109.574 |
|
Si1 |
C4 |
H11 |
110.031 |
|
Si1 |
C4 |
H12 |
110.031 |
|
Si1 |
C5 |
H8 |
109.574 |
|
Si1 |
C5 |
H13 |
110.031 |
|
Si1 |
C5 |
H14 |
110.031 |
|
H2 |
Si1 |
C3 |
108.806 |
|
H2 |
Si1 |
C4 |
108.806 |
|
H2 |
Si1 |
C5 |
108.806 |
|
H6 |
C3 |
H9 |
109.119 |
|
H6 |
C3 |
H10 |
109.119 |
|
H7 |
C4 |
H11 |
109.119 |
|
H7 |
C4 |
H12 |
109.119 |
|
H8 |
C5 |
H13 |
109.119 |
|
H8 |
C5 |
H14 |
109.119 |
|
H9 |
C3 |
H10 |
108.943 |
|
H11 |
C4 |
H12 |
108.943 |
|
H13 |
C5 |
H14 |
108.943 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.