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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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You are here: Home > Geometry > Calculated > Calculated geometry OR Calculated > Geometry > Calculated geometry
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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
MP2/6-31+G**
Point group is C2
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| N1 |
-0.1546 |
0.6965 |
-0.6880 |
|
-0.6818 |
-0.1798 |
0.6965 |
| N2 |
0.1546 |
-0.6965 |
-0.6880 |
|
-0.6932 |
0.1292 |
-0.6965 |
| C3 |
0.1546 |
1.4337 |
0.5363 |
|
0.5303 |
0.1742 |
1.4337 |
| C4 |
-0.1546 |
-1.4337 |
0.5363 |
|
0.5416 |
-0.1348 |
-1.4337 |
| H5 |
-1.1392 |
0.7762 |
-0.9184 |
|
-0.8759 |
-1.1722 |
0.7762 |
| H6 |
1.1392 |
-0.7762 |
-0.9184 |
|
-0.9596 |
1.1047 |
-0.7762 |
| H7 |
-0.1071 |
2.4771 |
0.3646 |
|
0.3683 |
-0.0936 |
2.4771 |
| H8 |
-0.3689 |
1.0882 |
1.4340 |
|
1.4466 |
-0.3159 |
1.0882 |
| H9 |
1.2283 |
1.3785 |
0.7176 |
|
0.6720 |
1.2539 |
1.3785 |
| H10 |
0.1071 |
-2.4771 |
0.3646 |
|
0.3605 |
0.1205 |
-2.4771 |
| H11 |
0.3689 |
-1.0882 |
1.4340 |
|
1.4195 |
0.4213 |
-1.0882 |
| H12 |
-1.2283 |
-1.3785 |
0.7176 |
|
0.7623 |
-1.2011 |
-1.3785 |
Atom - Atom Distances (Å)
| |
N1 |
N2 |
C3 |
C4 |
H5 |
H6 |
H7 |
H8 |
H9 |
H10 |
H11 |
H12 |
| N1 |
|
1.4269 |
1.4622 |
2.4569 |
1.0143 |
1.9737 |
2.0690 |
2.1685 |
2.0865 |
3.3538 |
2.8217 |
2.7266 |
| N2 |
1.4269 |
| 2.4569 |
1.4622 |
1.9737 |
1.0143 |
3.3538 |
2.8217 |
2.7266 |
2.0690 |
2.1685 |
2.0865 |
| C3 |
1.4622 |
2.4569 |
| 2.8839 |
2.0548 |
2.8229 |
1.0893 |
1.0951 |
1.0903 |
3.9148 |
2.6854 |
3.1390 |
| C4 |
2.4569 |
1.4622 |
2.8839 |
| 2.8229 |
2.0548 |
3.9148 |
2.6854 |
3.1390 |
1.0893 |
1.0951 |
1.0903 |
| H5 |
1.0143 |
1.9737 |
2.0548 |
2.8229 |
| 2.7569 |
2.3674 |
2.4949 |
2.9401 |
3.7125 |
3.3591 |
2.7068 |
| H6 |
1.9737 |
1.0143 |
2.8229 |
2.0548 |
2.7569 |
| 3.7125 |
3.3591 |
2.7068 |
2.3674 |
2.4949 |
2.9401 |
| H7 |
2.0690 |
3.3538 |
1.0893 |
3.9148 |
2.3674 |
3.7125 |
| 1.7723 |
1.7649 |
4.9588 |
3.7525 |
4.0308 |
| H8 |
2.1685 |
2.8217 |
1.0951 |
2.6854 |
2.4949 |
3.3591 |
1.7723 |
| 1.7744 |
3.7525 |
2.2980 |
2.7086 |
| H9 |
2.0865 |
2.7266 |
1.0903 |
3.1390 |
2.9401 |
2.7068 |
1.7649 |
1.7744 |
| 4.0308 |
2.7086 |
3.6927 |
| H10 |
3.3538 |
2.0690 |
3.9148 |
1.0893 |
3.7125 |
2.3674 |
4.9588 |
3.7525 |
4.0308 |
| 1.7723 |
1.7649 |
| H11 |
2.8217 |
2.1685 |
2.6854 |
1.0951 |
3.3591 |
2.4949 |
3.7525 |
2.2980 |
2.7086 |
1.7723 |
| 1.7744 |
| H12 |
2.7266 |
2.0865 |
3.1390 |
1.0903 |
2.7068 |
2.9401 |
4.0308 |
2.7086 |
3.6927 |
1.7649 |
1.7744 |
|
Maximum atom distance is 4.9588Å
between atoms H7 and H10.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
|
N1 |
N2 |
C4 |
116.511 |
|
N2 |
N1 |
C3 |
116.511 |
Calculated Bond Angles (degrees) (Involving Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
|
N1 |
N2 |
H6 |
106.679 |
|
N1 |
C3 |
H7 |
107.467 |
|
N1 |
C3 |
H8 |
115.231 |
|
N1 |
C3 |
H9 |
108.781 |
|
N2 |
N1 |
H5 |
106.679 |
|
N2 |
C4 |
H10 |
107.467 |
|
N2 |
C4 |
H11 |
115.231 |
|
N2 |
C4 |
H12 |
108.781 |
|
C3 |
N1 |
H5 |
110.845 |
|
C4 |
N2 |
H6 |
110.845 |
|
H7 |
C3 |
H8 |
108.453 |
|
H7 |
C3 |
H9 |
108.135 |
|
H8 |
C3 |
H9 |
108.569 |
|
H10 |
C4 |
H11 |
108.453 |
|
H10 |
C4 |
H12 |
108.135 |
|
H11 |
C4 |
H12 |
108.569 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.