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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=
MP3=FULL/6-31G*
Point group is Cs
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
C1 |
0.0627 |
0.7912 |
0.0000 |
|
0.7936 |
-0.0061 |
0.0000 |
N2 |
0.0627 |
-0.5243 |
0.0000 |
|
-0.5169 |
0.1079 |
0.0000 |
H3 |
-1.0110 |
1.0798 |
0.0000 |
|
0.9882 |
-1.1007 |
0.0000 |
H4 |
-0.7511 |
-1.1379 |
0.0000 |
|
-1.1988 |
-0.6496 |
0.0000 |
H5 |
0.9473 |
-1.0186 |
0.0000 |
|
-0.9327 |
1.0320 |
0.0000 |
Atom - Atom Distances (Å)
|
C1 |
N2 |
H3 |
H4 |
H5 |
C1 |
|
1.3155 |
1.1118 |
2.0937 |
2.0144 |
N2 |
1.3155 |
| 1.9303 |
1.0192 |
1.0134 |
H3 |
1.1118 |
1.9303 |
| 2.2330 |
2.8702 |
H4 |
2.0937 |
1.0192 |
2.2330 |
| 1.7026 |
H5 |
2.0144 |
1.0134 |
2.8702 |
1.7026 |
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Maximum atom distance is 2.8702Å
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 |
127.019 |
|
C1 |
N2 |
H5 |
119.192 |
N2 |
C1 |
H3 |
105.050 |
|
H4 |
N2 |
H5 |
113.789 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.