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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 N2H4 (Hydrazine)
1A C2
1910171554
InChI=1S/H4N2/c1-2/h1-2H2 INChIKey=OAKJQQAXSVQMHS-UHFFFAOYSA-N
BLYP/6-31G(2df,p)
Point group is C2
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
N1 |
0.0000 |
0.7316 |
-0.0836 |
|
-0.0834 |
-0.0069 |
0.7316 |
N2 |
0.0000 |
-0.7316 |
-0.0836 |
|
-0.0834 |
-0.0069 |
-0.7316 |
H3 |
-0.2147 |
1.0971 |
0.8547 |
|
0.8695 |
-0.1434 |
1.0971 |
H4 |
0.2147 |
-1.0971 |
0.8547 |
|
0.8340 |
0.2846 |
-1.0971 |
H5 |
0.9697 |
1.0066 |
-0.2691 |
|
-0.3483 |
0.9441 |
1.0066 |
H6 |
-0.9697 |
-1.0066 |
-0.2691 |
|
-0.1881 |
-0.9886 |
-1.0066 |
Atom - Atom Distances (Å)
|
N1 |
N2 |
H3 |
H4 |
H5 |
H6 |
N1 |
|
1.4632 |
1.0296 |
2.0665 |
1.0248 |
1.9990 |
N2 |
1.4632 |
| 2.0665 |
1.0296 |
1.9990 |
1.0248 |
H3 |
1.0296 |
2.0665 |
| 2.2357 |
1.6352 |
2.5017 |
H4 |
2.0665 |
1.0296 |
2.2357 |
| 2.5017 |
1.6352 |
H5 |
1.0248 |
1.9990 |
1.6352 |
2.5017 |
| 2.7954 |
H6 |
1.9990 |
1.0248 |
2.5017 |
1.6352 |
2.7954 |
|
Maximum atom distance is 2.7954Å
between atoms H5 and H6.
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 |
N1 |
N2 |
H4 |
110.789 |
|
N1 |
N2 |
H6 |
105.566 |
N2 |
N1 |
H3 |
110.789 |
|
N2 |
N1 |
H5 |
105.566 |
H3 |
N1 |
H5 |
105.488 |
|
H4 |
N2 |
H6 |
105.488 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.