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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 CH2NH (Methanimine)
1A' CS
1910171554
InChI=1S/CH3N/c1-2/h2H,1H2 INChIKey=WDWDWGRYHDPSDS-UHFFFAOYSA-N
HF/CEP-121G*
Point group is Cs
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| C1 |
0.0746 |
0.5633 |
0.0000 |
|
0.5564 |
0.1152 |
0.0000 |
| N2 |
0.0746 |
-0.6944 |
0.0000 |
|
-0.6980 |
0.0240 |
0.0000 |
| H3 |
-0.8220 |
1.1788 |
0.0000 |
|
1.2353 |
-0.7343 |
0.0000 |
| H4 |
1.0188 |
1.0924 |
0.0000 |
|
1.0156 |
1.0953 |
0.0000 |
| H5 |
-0.8679 |
-1.0525 |
0.0000 |
|
-0.9868 |
-0.9420 |
0.0000 |
Atom - Atom Distances (Å)
| |
C1 |
N2 |
H3 |
H4 |
H5 |
| C1 |
|
1.2577 |
1.0875 |
1.0824 |
1.8706 |
| N2 |
1.2577 |
| 2.0767 |
2.0209 |
1.0082 |
| H3 |
1.0875 |
2.0767 |
| 1.8428 |
2.2318 |
| H4 |
1.0824 |
2.0209 |
1.8428 |
| 2.8567 |
| H5 |
1.8706 |
1.0082 |
2.2318 |
2.8567 |
|
Maximum atom distance is 2.8567Å
between atoms H4 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 |
H5 |
110.808 |
|
N2 |
C1 |
H3 |
124.471 |
|
N2 |
C1 |
H4 |
119.263 |
|
H3 |
C1 |
H4 |
116.266 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.