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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=
MP2=FULL/6-311G**
Point group is Cs
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
C1 |
0.0629 |
0.7897 |
0.0000 |
|
0.7922 |
-0.0032 |
0.0000 |
N2 |
0.0629 |
-0.5245 |
0.0000 |
|
-0.5174 |
0.1065 |
0.0000 |
H3 |
-1.0074 |
1.0781 |
0.0000 |
|
0.9902 |
-1.0939 |
0.0000 |
H4 |
-0.7561 |
-1.1280 |
0.0000 |
|
-1.1872 |
-0.6593 |
0.0000 |
H5 |
0.9458 |
-1.0171 |
0.0000 |
|
-0.9346 |
1.0274 |
0.0000 |
Atom - Atom Distances (Å)
|
C1 |
N2 |
H3 |
H4 |
H5 |
C1 |
|
1.3142 |
1.1085 |
2.0853 |
2.0110 |
N2 |
1.3142 |
| 1.9271 |
1.0174 |
1.0110 |
H3 |
1.1085 |
1.9271 |
| 2.2204 |
2.8644 |
H4 |
2.0853 |
1.0174 |
2.2204 |
| 1.7055 |
H5 |
2.0110 |
1.0110 |
2.8644 |
1.7055 |
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Maximum atom distance is 2.8644Å
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 |
126.387 |
|
C1 |
N2 |
H5 |
119.162 |
N2 |
C1 |
H3 |
105.079 |
|
H4 |
N2 |
H5 |
114.451 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.