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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=
HF/TZVP
Point group is Cs
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
C1 |
0.0623 |
0.7797 |
0.0000 |
|
0.7821 |
-0.0070 |
0.0000 |
N2 |
0.0623 |
-0.5230 |
0.0000 |
|
-0.5154 |
0.1084 |
0.0000 |
H3 |
-0.9851 |
1.0980 |
0.0000 |
|
1.0064 |
-1.0784 |
0.0000 |
H4 |
-0.7534 |
-1.1007 |
0.0000 |
|
-1.1631 |
-0.6530 |
0.0000 |
H5 |
0.9283 |
-1.0147 |
0.0000 |
|
-0.9285 |
1.0145 |
0.0000 |
Atom - Atom Distances (Å)
|
C1 |
N2 |
H3 |
H4 |
H5 |
C1 |
|
1.3026 |
1.0947 |
2.0497 |
1.9924 |
N2 |
1.3026 |
| 1.9299 |
0.9996 |
0.9958 |
H3 |
1.0947 |
1.9299 |
| 2.2108 |
2.8503 |
H4 |
2.0497 |
0.9996 |
2.2108 |
| 1.6839 |
H5 |
1.9924 |
0.9958 |
2.8503 |
1.6839 |
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Maximum atom distance is 2.8503Å
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 |
125.307 |
|
C1 |
N2 |
H5 |
119.589 |
N2 |
C1 |
H3 |
106.903 |
|
H4 |
N2 |
H5 |
115.104 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.