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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=
B97D3/STO-3G
Point group is Cs
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| C1 |
0.0644 |
0.8296 |
0.0000 |
|
0.8212 |
0.1341 |
0.0000 |
| N2 |
0.0644 |
-0.5347 |
0.0000 |
|
-0.5382 |
0.0191 |
0.0000 |
| H3 |
-1.0725 |
1.0442 |
0.0000 |
|
1.1308 |
-0.9808 |
0.0000 |
| H4 |
-0.7497 |
-1.2279 |
0.0000 |
|
-1.1604 |
-0.8504 |
0.0000 |
| H5 |
0.9847 |
-1.0510 |
0.0000 |
|
-1.1302 |
0.8927 |
0.0000 |
Atom - Atom Distances (Å)
| |
C1 |
N2 |
H3 |
H4 |
H5 |
| C1 |
|
1.3643 |
1.1570 |
2.2126 |
2.0937 |
| N2 |
1.3643 |
| 1.9456 |
1.0692 |
1.0552 |
| H3 |
1.1570 |
1.9456 |
| 2.2949 |
2.9363 |
| H4 |
2.2126 |
1.0692 |
2.2949 |
| 1.7434 |
| H5 |
2.0937 |
1.0552 |
2.9363 |
1.7434 |
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Maximum atom distance is 2.9363Å
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 |
130.414 |
|
C1 |
N2 |
H5 |
119.291 |
|
N2 |
C1 |
H3 |
100.688 |
|
H4 |
N2 |
H5 |
110.295 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.