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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
SVWN/aug-cc-pVDZ
Point group is Cs
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
C1 |
0.0566 |
0.5855 |
0.0000 |
|
0.5793 |
0.1022 |
0.0000 |
N2 |
0.0566 |
-0.6850 |
0.0000 |
|
-0.6873 |
0.0029 |
0.0000 |
H3 |
-0.8564 |
1.2219 |
0.0000 |
|
1.2851 |
-0.7583 |
0.0000 |
H4 |
1.0304 |
1.1140 |
0.0000 |
|
1.0301 |
1.1144 |
0.0000 |
H5 |
-0.9105 |
-1.0539 |
0.0000 |
|
-0.9795 |
-0.9900 |
0.0000 |
Atom - Atom Distances (Å)
|
C1 |
N2 |
H3 |
H4 |
H5 |
C1 |
|
1.2705 |
1.1129 |
1.1080 |
1.9034 |
N2 |
1.2705 |
| 2.1142 |
2.0457 |
1.0351 |
H3 |
1.1129 |
2.1142 |
| 1.8899 |
2.2764 |
H4 |
1.1080 |
2.0457 |
1.8899 |
| 2.9098 |
H5 |
1.9034 |
1.0351 |
2.2764 |
2.9098 |
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Maximum atom distance is 2.9098Å
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 |
110.878 |
|
N2 |
C1 |
H3 |
124.878 |
N2 |
C1 |
H4 |
118.492 |
|
H3 |
C1 |
H4 |
116.630 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.