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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/aug-cc-pVDZ
Point group is Cs
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| C1 |
0.0634 |
0.7939 |
0.0000 |
|
0.7850 |
0.1345 |
0.0000 |
| N2 |
0.0634 |
-0.5273 |
0.0000 |
|
-0.5308 |
0.0157 |
0.0000 |
| H3 |
-1.0170 |
1.1008 |
0.0000 |
|
1.1878 |
-0.9138 |
0.0000 |
| H4 |
-0.7588 |
-1.1470 |
0.0000 |
|
-1.0741 |
-0.8589 |
0.0000 |
| H5 |
0.9521 |
-1.0265 |
0.0000 |
|
-1.1080 |
0.8559 |
0.0000 |
Atom - Atom Distances (Å)
| |
C1 |
N2 |
H3 |
H4 |
H5 |
| C1 |
|
1.3212 |
1.1231 |
2.1079 |
2.0258 |
| N2 |
1.3212 |
| 1.9539 |
1.0296 |
1.0194 |
| H3 |
1.1231 |
1.9539 |
| 2.2626 |
2.8988 |
| H4 |
2.1079 |
1.0296 |
2.2626 |
| 1.7152 |
| H5 |
2.0258 |
1.0194 |
2.8988 |
1.7152 |
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Maximum atom distance is 2.8988Å
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 |
127.006 |
|
C1 |
N2 |
H5 |
119.327 |
|
N2 |
C1 |
H3 |
105.858 |
|
H4 |
N2 |
H5 |
113.667 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.