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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
CCSD/cc-pVDZ
Point group is Cs
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
C1 |
0.0572 |
0.5889 |
0.0000 |
|
0.5916 |
0.0112 |
0.0000 |
N2 |
0.0572 |
-0.6935 |
0.0000 |
|
-0.6870 |
0.1108 |
0.0000 |
H3 |
-0.8470 |
1.2274 |
0.0000 |
|
1.1579 |
-0.9398 |
0.0000 |
H4 |
1.0250 |
1.1167 |
0.0000 |
|
1.1929 |
0.9352 |
0.0000 |
H5 |
-0.9210 |
-1.0230 |
0.0000 |
|
-1.0915 |
-0.8388 |
0.0000 |
Atom - Atom Distances (Å)
|
C1 |
N2 |
H3 |
H4 |
H5 |
C1 |
|
1.2824 |
1.1069 |
1.1024 |
1.8855 |
N2 |
1.2824 |
| 2.1231 |
2.0527 |
1.0322 |
H3 |
1.1069 |
2.1231 |
| 1.8753 |
2.2517 |
H4 |
1.1024 |
2.0527 |
1.8753 |
| 2.8923 |
H5 |
1.8855 |
1.0322 |
2.2517 |
2.8923 |
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Maximum atom distance is 2.8923Å
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 |
108.618 |
|
N2 |
C1 |
H3 |
125.229 |
N2 |
C1 |
H4 |
118.601 |
|
H3 |
C1 |
H4 |
116.169 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.