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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 CHNH2 (aminomethylene)
1A' CS
1910171554
InChI=1S/CH3N/c1-2/h1H,2H2 INChIKey=
TPSSh/STO-3G
Point group is Cs
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| C1 |
0.0643 |
0.8244 |
0.0000 |
|
0.8268 |
-0.0075 |
0.0000 |
| N2 |
0.0643 |
-0.5329 |
0.0000 |
|
-0.5253 |
0.1102 |
0.0000 |
| H3 |
-1.0611 |
1.0446 |
0.0000 |
|
0.9487 |
-1.1477 |
0.0000 |
| H4 |
-0.7530 |
-1.2099 |
0.0000 |
|
-1.2706 |
-0.6452 |
0.0000 |
| H5 |
0.9788 |
-1.0503 |
0.0000 |
|
-0.9615 |
1.0661 |
0.0000 |
Atom - Atom Distances (Å)
| |
C1 |
N2 |
H3 |
H4 |
H5 |
| C1 |
|
1.3573 |
1.1467 |
2.1923 |
2.0858 |
| N2 |
1.3573 |
| 1.9378 |
1.0612 |
1.0507 |
| H3 |
1.1467 |
1.9378 |
| 2.2755 |
2.9240 |
| H4 |
2.1923 |
1.0612 |
2.2755 |
| 1.7391 |
| H5 |
2.0858 |
1.0507 |
2.9240 |
1.7391 |
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Maximum atom distance is 2.9240Å
between atoms H3 and H5.
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 |
N2 |
H4 |
129.638 |
|
C1 |
N2 |
H5 |
119.500 |
|
N2 |
C1 |
H3 |
101.075 |
|
H4 |
N2 |
H5 |
110.862 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.