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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 CH3NHNHCH3 (dimethyl hydrazine)
1A C2
1910171554
InChI=1S/C2H8N2/c1-3-4-2/h3-4H,1-2H3 INChIKey=DIIIISSCIXVANO-UHFFFAOYSA-N
B2PLYP=FULLultrafine/cc-pVDZ
Point group is C2
| Atom |
Internal |
| x (Å) |
y (Å) |
z (Å) |
| N1 |
-0.1628 |
0.6933 |
-0.6853 |
| N2 |
0.1628 |
-0.6933 |
-0.6853 |
| C3 |
0.1628 |
1.4432 |
0.5266 |
| C4 |
-0.1628 |
-1.4432 |
0.5266 |
| H5 |
-1.1643 |
0.7531 |
-0.8695 |
| H6 |
1.1643 |
-0.7531 |
-0.8695 |
| H7 |
-0.1172 |
2.4943 |
0.3605 |
| H8 |
-0.3317 |
1.1002 |
1.4565 |
| H9 |
1.2521 |
1.4101 |
0.6903 |
| H10 |
0.1172 |
-2.4943 |
0.3605 |
| H11 |
0.3317 |
-1.1002 |
1.4565 |
| H12 |
-1.2521 |
-1.4101 |
0.6903 |
Atom - Atom Distances (Å)
| |
N1 |
N2 |
C3 |
C4 |
H5 |
H6 |
H7 |
H8 |
H9 |
H10 |
H11 |
H12 |
| N1 |
|
1.4243 |
1.4619 |
2.4563 |
1.0201 |
1.9716 |
2.0832 |
2.1867 |
2.0995 |
3.3665 |
2.8370 |
2.7392 |
| N2 |
1.4243 |
| 2.4563 |
1.4619 |
1.9716 |
1.0201 |
3.3665 |
2.8370 |
2.7392 |
2.0832 |
2.1867 |
2.0995 |
| C3 |
1.4619 |
2.4563 |
| 2.9047 |
2.0461 |
2.7885 |
1.1004 |
1.1076 |
1.1020 |
3.9413 |
2.7133 |
3.1890 |
| C4 |
2.4563 |
1.4619 |
2.9047 |
| 2.7885 |
2.0461 |
3.9413 |
2.7133 |
3.1890 |
1.1004 |
1.1076 |
1.1020 |
| H5 |
1.0201 |
1.9716 |
2.0461 |
2.7885 |
| 2.7733 |
2.3751 |
2.4948 |
2.9502 |
3.7015 |
3.3291 |
2.6683 |
| H6 |
1.9716 |
1.0201 |
2.7885 |
2.0461 |
2.7733 |
| 3.7015 |
3.3291 |
2.6683 |
2.3751 |
2.4948 |
2.9502 |
| H7 |
2.0832 |
3.3665 |
1.1004 |
3.9413 |
2.3751 |
3.7015 |
| 1.7863 |
1.7774 |
4.9942 |
3.7846 |
4.0794 |
| H8 |
2.1867 |
2.8370 |
1.1076 |
2.7133 |
2.4948 |
3.3291 |
1.7863 |
| 1.7865 |
3.7846 |
2.2982 |
2.7813 |
| H9 |
2.0995 |
2.7392 |
1.1020 |
3.1890 |
2.9502 |
2.6683 |
1.7774 |
1.7865 |
| 4.0794 |
2.7813 |
3.7716 |
| H10 |
3.3665 |
2.0832 |
3.9413 |
1.1004 |
3.7015 |
2.3751 |
4.9942 |
3.7846 |
4.0794 |
| 1.7863 |
1.7774 |
| H11 |
2.8370 |
2.1867 |
2.7133 |
1.1076 |
3.3291 |
2.4948 |
3.7846 |
2.2982 |
2.7813 |
1.7863 |
| 1.7865 |
| H12 |
2.7392 |
2.0995 |
3.1890 |
1.1020 |
2.6683 |
2.9502 |
4.0794 |
2.7813 |
3.7716 |
1.7774 |
1.7865 |
|
Maximum atom distance is 4.9942Å
between atoms H7 and H10.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
|
N1 |
N2 |
C4 |
116.647 |
|
N2 |
N1 |
C3 |
116.647 |
Calculated Bond Angles (degrees) (Involving Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
|
N1 |
N2 |
H6 |
106.348 |
|
N1 |
C3 |
H7 |
107.950 |
|
N1 |
C3 |
H8 |
115.958 |
|
N1 |
C3 |
H9 |
109.136 |
|
N2 |
N1 |
H5 |
106.348 |
|
N2 |
C4 |
H10 |
107.950 |
|
N2 |
C4 |
H11 |
115.958 |
|
N2 |
C4 |
H12 |
109.136 |
|
C3 |
N1 |
H5 |
109.767 |
|
C4 |
N2 |
H6 |
109.767 |
|
H7 |
C3 |
H8 |
107.999 |
|
H7 |
C3 |
H9 |
107.612 |
|
H8 |
C3 |
H9 |
107.898 |
|
H10 |
C4 |
H11 |
107.999 |
|
H10 |
C4 |
H12 |
107.612 |
|
H11 |
C4 |
H12 |
107.898 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.