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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
MP2/CEP-121G*
Point group is C2
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
N1 |
0.0000 |
0.7279 |
-0.1010 |
|
-0.1008 |
-0.0072 |
0.7279 |
N2 |
0.0000 |
-0.7279 |
-0.1010 |
|
-0.1008 |
-0.0072 |
-0.7279 |
H3 |
-0.2161 |
1.0943 |
0.8284 |
|
0.8416 |
-0.1567 |
1.0943 |
H4 |
0.2161 |
-1.0943 |
0.8284 |
|
0.8109 |
0.2744 |
-1.0943 |
H5 |
0.9538 |
1.0063 |
-0.3232 |
|
-0.3901 |
0.9284 |
1.0063 |
H6 |
-0.9538 |
-1.0063 |
-0.3232 |
|
-0.2546 |
-0.9743 |
-1.0063 |
Atom - Atom Distances (Å)
|
N1 |
N2 |
H3 |
H4 |
H5 |
H6 |
N1 |
|
1.4559 |
1.0221 |
2.0570 |
1.0181 |
1.9916 |
N2 |
1.4559 |
| 2.0570 |
1.0221 |
1.9916 |
1.0181 |
H3 |
1.0221 |
2.0570 |
| 2.2309 |
1.6439 |
2.5066 |
H4 |
2.0570 |
1.0221 |
2.2309 |
| 2.5066 |
1.6439 |
H5 |
1.0181 |
1.9916 |
1.6439 |
2.5066 |
| 2.7730 |
H6 |
1.9916 |
1.0181 |
2.5066 |
1.6439 |
2.7730 |
|
Maximum atom distance is 2.7730Å
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 |
111.005 |
|
N1 |
N2 |
H6 |
105.869 |
N2 |
N1 |
H3 |
111.005 |
|
N2 |
N1 |
H5 |
105.869 |
H3 |
N1 |
H5 |
107.363 |
|
H4 |
N2 |
H6 |
107.363 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.