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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
LSDA/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 |
0.5852 |
0.0000 |
|
0.5791 |
0.1019 |
0.0000 |
N2 |
0.0566 |
-0.6850 |
0.0000 |
|
-0.6873 |
0.0033 |
0.0000 |
H3 |
-0.8561 |
1.2225 |
0.0000 |
|
1.2853 |
-0.7586 |
0.0000 |
H4 |
1.0300 |
1.1148 |
0.0000 |
|
1.0315 |
1.1135 |
0.0000 |
H5 |
-0.9103 |
-1.0540 |
0.0000 |
|
-0.9801 |
-0.9894 |
0.0000 |
Atom - Atom Distances (Å)
|
C1 |
N2 |
H3 |
H4 |
H5 |
C1 |
|
1.2702 |
1.1132 |
1.1081 |
1.9032 |
N2 |
1.2702 |
| 2.1146 |
2.0462 |
1.0350 |
H3 |
1.1132 |
2.1146 |
| 1.8892 |
2.2771 |
H4 |
1.1081 |
2.0462 |
1.8892 |
| 2.9101 |
H5 |
1.9032 |
1.0350 |
2.2771 |
2.9101 |
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Maximum atom distance is 2.9101Å
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 |
110.889 |
|
N2 |
C1 |
H3 |
124.920 |
N2 |
C1 |
H4 |
118.550 |
|
H3 |
C1 |
H4 |
116.530 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.