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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 N2H2 ((Z)-Diazene)
1A1 C2V
1910171554
InChI=1S/H2N2/c1-2/h1-2H/b2-1- INChIKey=RAABOESOVLLHRU-UPHRSURJSA-N
B3LYP/LANL2DZ
Point group is C2v
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
N1 |
0.0000 |
0.6360 |
-0.1191 |
|
-0.1191 |
0.0000 |
0.6360 |
N2 |
0.0000 |
-0.6360 |
-0.1191 |
|
-0.1191 |
0.0000 |
-0.6360 |
H3 |
0.0000 |
1.0933 |
0.8337 |
|
0.8337 |
0.0000 |
1.0933 |
H4 |
0.0000 |
-1.0933 |
0.8337 |
|
0.8337 |
0.0000 |
-1.0933 |
Atom - Atom Distances (Å)
|
N1 |
N2 |
H3 |
H4 |
N1 |
|
1.2720 |
1.0569 |
1.9744 |
N2 |
1.2720 |
| 1.9744 |
1.0569 |
H3 |
1.0569 |
1.9744 |
| 2.1867 |
H4 |
1.9744 |
1.0569 |
2.1867 |
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Maximum atom distance is 2.1867Å
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 |
N1 |
N2 |
H4 |
115.641 |
|
N2 |
N1 |
H3 |
115.641 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.