|
Computational Chemistry Comparison and Benchmark DataBase
Release 22 (May 2022) Standard Reference Database 101
National Institute of Standards and Technology
|
|
|
|
You are here: Home > Geometry > Calculated > Calculated geometry OR Calculated > Geometry > Calculated geometry
|
Geometry for N2H4 (Hydrazine)
1A C2
1910171554
InChI=1S/H4N2/c1-2/h1-2H2 INChIKey=OAKJQQAXSVQMHS-UHFFFAOYSA-N
MP2=FULL/3-21G*
Point group is C2
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| N1 |
0.0000 |
0.7451 |
-0.0721 |
|
0.7426 |
0.0609 |
-0.0721 |
| N2 |
0.0000 |
-0.7451 |
-0.0721 |
|
-0.7426 |
-0.0609 |
-0.0721 |
| H3 |
-0.2003 |
1.1215 |
0.8616 |
|
1.1341 |
-0.1079 |
0.8616 |
| H4 |
0.2003 |
-1.1215 |
0.8616 |
|
-1.1341 |
0.1079 |
0.8616 |
| H5 |
0.9370 |
1.0331 |
-0.3568 |
|
0.9531 |
1.0184 |
-0.3568 |
| H6 |
-0.9370 |
-1.0331 |
-0.3568 |
|
-0.9531 |
-1.0184 |
-0.3568 |
Atom - Atom Distances (Å)
| |
N1 |
N2 |
H3 |
H4 |
H5 |
H6 |
| N1 |
|
1.4901 |
1.0265 |
2.0967 |
1.0208 |
2.0300 |
| N2 |
1.4901 |
| 2.0967 |
1.0265 |
2.0300 |
1.0208 |
| H3 |
1.0265 |
2.0967 |
| 2.2784 |
1.6691 |
2.5826 |
| H4 |
2.0967 |
1.0265 |
2.2784 |
| 2.5826 |
1.6691 |
| H5 |
1.0208 |
2.0300 |
1.6691 |
2.5826 |
| 2.7896 |
| H6 |
2.0300 |
1.0208 |
2.5826 |
1.6691 |
2.7896 |
|
Maximum atom distance is 2.7896Å
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 |
111.513 |
|
N1 |
N2 |
H6 |
106.390 |
|
N2 |
N1 |
H3 |
111.513 |
|
N2 |
N1 |
H5 |
106.390 |
|
H3 |
N1 |
H5 |
109.226 |
|
H4 |
N2 |
H6 |
109.226 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.