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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 HCNH (methyleneazane)
2A' CS trans
1910171554
InChI=1S/CH2N/c1-2/h1-2H INChIKey=GNMFKYYLBRTFHL-UHFFFAOYSA-N
QCISD/6-311G*
Point group is Cs
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
C1 |
0.0001 |
0.6538 |
0.0000 |
|
0.6428 |
-0.1190 |
0.0000 |
N2 |
0.0001 |
-0.5914 |
0.0000 |
|
-0.5815 |
0.1078 |
0.0000 |
H3 |
0.9093 |
1.2700 |
0.0000 |
|
1.4144 |
0.6627 |
0.0000 |
H4 |
-0.9102 |
-1.0526 |
0.0000 |
|
-1.2008 |
-0.7032 |
0.0000 |
Atom - Atom Distances (Å)
|
C1 |
N2 |
H3 |
H4 |
C1 |
|
1.2452 |
1.0984 |
1.9339 |
N2 |
1.2452 |
| 2.0716 |
1.0204 |
H3 |
1.0984 |
2.0716 |
| 2.9504 |
H4 |
1.9339 |
1.0204 |
2.9504 |
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Maximum atom distance is 2.9504Å
between atoms H3 and H4.
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 |
H4 |
116.867 |
|
H3 |
C1 |
N2 |
124.127 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.