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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
CID/cc-pVTZ
Point group is Cs
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| C1 |
0.0561 |
0.5810 |
0.0000 |
|
0.5751 |
0.0998 |
0.0000 |
| N2 |
0.0561 |
-0.6792 |
0.0000 |
|
-0.6815 |
0.0047 |
0.0000 |
| H3 |
-0.8395 |
1.1949 |
0.0000 |
|
1.2548 |
-0.7470 |
0.0000 |
| H4 |
1.0030 |
1.1049 |
0.0000 |
|
1.0261 |
1.0834 |
0.0000 |
| H5 |
-0.8930 |
-1.0313 |
0.0000 |
|
-0.9610 |
-0.9682 |
0.0000 |
Atom - Atom Distances (Å)
| |
C1 |
N2 |
H3 |
H4 |
H5 |
| C1 |
|
1.2602 |
1.0858 |
1.0821 |
1.8709 |
| N2 |
1.2602 |
| 2.0771 |
2.0197 |
1.0123 |
| H3 |
1.0858 |
2.0771 |
| 1.8446 |
2.2269 |
| H4 |
1.0821 |
2.0197 |
1.8446 |
| 2.8562 |
| H5 |
1.8709 |
1.0123 |
2.2269 |
2.8562 |
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Maximum atom distance is 2.8562Å
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 |
110.355 |
|
N2 |
C1 |
H3 |
124.430 |
|
N2 |
C1 |
H4 |
118.955 |
|
H3 |
C1 |
H4 |
116.614 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.