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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
B97D3/6-311G**
Point group is C2
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
N1 |
0.0000 |
0.7217 |
-0.0787 |
|
0.7191 |
-0.0605 |
-0.0787 |
N2 |
0.0000 |
-0.7217 |
-0.0787 |
|
-0.7191 |
0.0605 |
-0.0787 |
H3 |
-0.2183 |
1.0990 |
0.8465 |
|
1.0768 |
-0.3098 |
0.8465 |
H4 |
0.2183 |
-1.0990 |
0.8465 |
|
-1.0768 |
0.3098 |
0.8465 |
H5 |
0.9508 |
1.0119 |
-0.2957 |
|
1.0881 |
0.8625 |
-0.2957 |
H6 |
-0.9508 |
-1.0119 |
-0.2957 |
|
-1.0881 |
-0.8625 |
-0.2957 |
Atom - Atom Distances (Å)
|
N1 |
N2 |
H3 |
H4 |
H5 |
H6 |
N1 |
|
1.4434 |
1.0227 |
2.0539 |
1.0175 |
1.9891 |
N2 |
1.4434 |
| 2.0539 |
1.0227 |
1.9891 |
1.0175 |
H3 |
1.0227 |
2.0539 |
| 2.2409 |
1.6368 |
2.5094 |
H4 |
2.0539 |
1.0227 |
2.2409 |
| 2.5094 |
1.6368 |
H5 |
1.0175 |
1.9891 |
1.6368 |
2.5094 |
| 2.7770 |
H6 |
1.9891 |
1.0175 |
2.5094 |
1.6368 |
2.7770 |
|
Maximum atom distance is 2.7770Å
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 |
111.648 |
|
N1 |
N2 |
H6 |
106.572 |
N2 |
N1 |
H3 |
111.648 |
|
N2 |
N1 |
H5 |
106.572 |
H3 |
N1 |
H5 |
106.692 |
|
H4 |
N2 |
H6 |
106.692 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.