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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
PM3
Point group is C2
| Atom |
Internal |
| x (Å) |
y (Å) |
z (Å) |
| N1 |
-0.1683 |
0.7016 |
-0.6852 |
| N2 |
0.1683 |
-0.7016 |
-0.6852 |
| C3 |
0.1683 |
1.4812 |
0.5276 |
| C4 |
-0.1683 |
-1.4812 |
0.5276 |
| H5 |
-1.1480 |
0.7544 |
-0.8679 |
| H6 |
1.1480 |
-0.7544 |
-0.8679 |
| H7 |
-0.0645 |
2.5343 |
0.3249 |
| H8 |
-0.3758 |
1.1797 |
1.4368 |
| H9 |
1.2442 |
1.4065 |
0.7369 |
| H10 |
0.0645 |
-2.5343 |
0.3249 |
| H11 |
0.3758 |
-1.1797 |
1.4368 |
| H12 |
-1.2442 |
-1.4065 |
0.7369 |
| N1 |
-0.1673 |
0.7019 |
-0.6858 |
| N2 |
0.1673 |
-0.7019 |
-0.6858 |
| C3 |
0.1673 |
1.4804 |
0.5282 |
| C4 |
-0.1673 |
-1.4804 |
0.5282 |
| H5 |
-1.1465 |
0.7559 |
-0.8708 |
| H6 |
1.1465 |
-0.7559 |
-0.8708 |
| H7 |
-0.0634 |
2.5340 |
0.3256 |
| H8 |
-0.3796 |
1.1792 |
1.4359 |
| H9 |
1.2426 |
1.4040 |
0.7405 |
| H10 |
0.0634 |
-2.5340 |
0.3256 |
| H11 |
0.3796 |
-1.1792 |
1.4359 |
| H12 |
-1.2426 |
-1.4040 |
0.7405 |
Atom - Atom Distances (Å)
| |
N1 |
N2 |
C3 |
C4 |
H5 |
H6 |
H7 |
H8 |
H9 |
H10 |
H11 |
H12 |
N13 |
N14 |
C15 |
C16 |
H17 |
H18 |
H19 |
H20 |
H21 |
H22 |
H23 |
H24 |
| N1 |
|
1.4429 |
1.4805 |
2.4970 |
0.9980 |
1.9712 |
2.0952 |
2.1850 |
2.1247 |
3.3978 |
2.8875 |
2.7611 |
0.0012 |
1.4430 |
1.4804 |
2.4966 |
0.9972 |
1.9717 |
2.0954 |
2.1844 |
2.1252 |
3.3977 |
2.8873 |
2.7604 |
| N2 |
1.4429 |
| 2.4970 |
1.4805 |
1.9712 |
0.9980 |
3.3978 |
2.8875 |
2.7611 |
2.0952 |
2.1850 |
2.1247 |
1.4430 |
0.0012 |
2.4966 |
1.4804 |
1.9717 |
0.9972 |
3.3977 |
2.8873 |
2.7604 |
2.0954 |
2.1844 |
2.1252 |
| C3 |
1.4805 |
2.4970 |
| 2.9814 |
2.0514 |
2.8115 |
1.0975 |
1.1016 |
1.0986 |
4.0219 |
2.8195 |
3.2214 |
1.4806 |
2.4976 |
0.0014 |
2.9805 |
2.0519 |
2.8137 |
1.0968 |
1.1029 |
1.0979 |
4.0216 |
2.8191 |
3.2187 |
| C4 |
2.4970 |
1.4805 |
2.9814 |
| 2.8115 |
2.0514 |
4.0219 |
2.8195 |
3.2214 |
1.0975 |
1.1016 |
1.0986 |
2.4976 |
1.4806 |
2.9805 |
0.0014 |
2.8137 |
2.0519 |
4.0216 |
2.8191 |
3.2187 |
1.0968 |
1.1029 |
1.0979 |
| H5 |
0.9980 |
1.9712 |
2.0514 |
2.8115 |
| 2.7474 |
2.4010 |
2.4675 |
2.9536 |
3.7025 |
3.3725 |
2.6933 |
0.9989 |
1.9708 |
2.0509 |
2.8116 |
0.0037 |
2.7470 |
2.4017 |
2.4654 |
2.9536 |
3.7021 |
3.3734 |
2.6934 |
| H6 |
1.9712 |
0.9980 |
2.8115 |
2.0514 |
2.7474 |
| 3.7025 |
3.3725 |
2.6933 |
2.4010 |
2.4675 |
2.9536 |
1.9708 |
0.9989 |
2.8116 |
2.0509 |
2.7470 |
0.0037 |
3.7021 |
3.3734 |
2.6934 |
2.4017 |
2.4654 |
2.9536 |
| H7 |
2.0952 |
3.3978 |
1.0975 |
4.0219 |
2.4010 |
3.7025 |
| 1.7799 |
1.7761 |
5.0703 |
3.9018 |
4.1342 |
2.0952 |
3.3982 |
1.0981 |
4.0211 |
2.4006 |
3.7043 |
0.0014 |
1.7804 |
1.7773 |
5.0699 |
3.9015 |
4.1317 |
| H8 |
2.1850 |
2.8875 |
1.1016 |
2.8195 |
2.4675 |
3.3725 |
1.7799 |
| 1.7792 |
3.9018 |
2.4762 |
2.8164 |
2.1856 |
2.8880 |
1.1004 |
2.8186 |
2.4695 |
3.3748 |
1.7795 |
0.0039 |
1.7760 |
3.9012 |
2.4769 |
2.8127 |
| H9 |
2.1247 |
2.7611 |
1.0986 |
3.2214 |
2.9536 |
2.6933 |
1.7761 |
1.7792 |
| 4.1342 |
2.8164 |
3.7557 |
2.1244 |
2.7621 |
1.0994 |
3.2202 |
2.9536 |
2.6964 |
1.7749 |
1.7824 |
0.0046 |
4.1342 |
2.8146 |
3.7527 |
| H10 |
3.3978 |
2.0952 |
4.0219 |
1.0975 |
3.7025 |
2.4010 |
5.0703 |
3.9018 |
4.1342 |
| 1.7799 |
1.7761 |
3.3982 |
2.0952 |
4.0211 |
1.0981 |
3.7043 |
2.4006 |
5.0699 |
3.9015 |
4.1317 |
0.0014 |
1.7804 |
1.7773 |
| H11 |
2.8875 |
2.1850 |
2.8195 |
1.1016 |
3.3725 |
2.4675 |
3.9018 |
2.4762 |
2.8164 |
1.7799 |
| 1.7792 |
2.8880 |
2.1856 |
2.8186 |
1.1004 |
3.3748 |
2.4695 |
3.9012 |
2.4769 |
2.8127 |
1.7795 |
0.0039 |
1.7760 |
| H12 |
2.7611 |
2.1247 |
3.2214 |
1.0986 |
2.6933 |
2.9536 |
4.1342 |
2.8164 |
3.7557 |
1.7761 |
1.7792 |
| 2.7621 |
2.1244 |
3.2202 |
1.0994 |
2.6964 |
2.9536 |
4.1342 |
2.8146 |
3.7527 |
1.7749 |
1.7824 |
0.0046 |
| N13 |
0.0012 |
1.4430 |
1.4806 |
2.4976 |
0.9989 |
1.9708 |
2.0952 |
2.1856 |
2.1244 |
3.3982 |
2.8880 |
2.7621 |
|
1.4431 |
1.4805 |
2.4972 |
0.9980 |
1.9712 |
2.0953 |
2.1850 |
2.1248 |
3.3981 |
2.8877 |
2.7614 |
| N14 |
1.4430 |
0.0012 |
2.4976 |
1.4806 |
1.9708 |
0.9989 |
3.3982 |
2.8880 |
2.7621 |
2.0952 |
2.1856 |
2.1244 |
1.4431 |
| 2.4972 |
1.4805 |
1.9712 |
0.9980 |
3.3981 |
2.8877 |
2.7614 |
2.0953 |
2.1850 |
2.1248 |
| C15 |
1.4804 |
2.4966 |
0.0014 |
2.9805 |
2.0509 |
2.8116 |
1.0981 |
1.1004 |
1.0994 |
4.0211 |
2.8186 |
3.2202 |
1.4805 |
2.4972 |
| 2.9796 |
2.0514 |
2.8138 |
1.0975 |
1.1017 |
1.0987 |
4.0208 |
2.8182 |
3.2175 |
| C16 |
2.4966 |
1.4804 |
2.9805 |
0.0014 |
2.8116 |
2.0509 |
4.0211 |
2.8186 |
3.2202 |
1.0981 |
1.1004 |
1.0994 |
2.4972 |
1.4805 |
2.9796 |
| 2.8138 |
2.0514 |
4.0208 |
2.8182 |
3.2175 |
1.0975 |
1.1017 |
1.0987 |
| H17 |
0.9972 |
1.9717 |
2.0519 |
2.8137 |
0.0037 |
2.7470 |
2.4006 |
2.4695 |
2.9536 |
3.7043 |
3.3748 |
2.6964 |
0.9980 |
1.9712 |
2.0514 |
2.8138 |
| 2.7466 |
2.4013 |
2.4674 |
2.9537 |
3.7039 |
3.3756 |
2.6965 |
| H18 |
1.9717 |
0.9972 |
2.8137 |
2.0519 |
2.7470 |
0.0037 |
3.7043 |
3.3748 |
2.6964 |
2.4006 |
2.4695 |
2.9536 |
1.9712 |
0.9980 |
2.8138 |
2.0514 |
2.7466 |
| 3.7039 |
3.3756 |
2.6965 |
2.4013 |
2.4674 |
2.9537 |
| H19 |
2.0954 |
3.3977 |
1.0968 |
4.0216 |
2.4017 |
3.7021 |
0.0014 |
1.7795 |
1.7749 |
5.0699 |
3.9012 |
4.1342 |
2.0953 |
3.3981 |
1.0975 |
4.0208 |
2.4013 |
3.7039 |
| 1.7799 |
1.7761 |
5.0696 |
3.9009 |
4.1317 |
| H20 |
2.1844 |
2.8873 |
1.1029 |
2.8191 |
2.4654 |
3.3734 |
1.7804 |
0.0039 |
1.7824 |
3.9015 |
2.4769 |
2.8146 |
2.1850 |
2.8877 |
1.1017 |
2.8182 |
2.4674 |
3.3756 |
1.7799 |
| 1.7792 |
3.9009 |
2.4777 |
2.8109 |
| H21 |
2.1252 |
2.7604 |
1.0979 |
3.2187 |
2.9536 |
2.6934 |
1.7773 |
1.7760 |
0.0046 |
4.1317 |
2.8127 |
3.7527 |
2.1248 |
2.7614 |
1.0987 |
3.2175 |
2.9537 |
2.6965 |
1.7761 |
1.7792 |
| 4.1317 |
2.8109 |
3.7498 |
| H22 |
3.3977 |
2.0954 |
4.0216 |
1.0968 |
3.7021 |
2.4017 |
5.0699 |
3.9012 |
4.1342 |
0.0014 |
1.7795 |
1.7749 |
3.3981 |
2.0953 |
4.0208 |
1.0975 |
3.7039 |
2.4013 |
5.0696 |
3.9009 |
4.1317 |
| 1.7799 |
1.7761 |
| H23 |
2.8873 |
2.1844 |
2.8191 |
1.1029 |
3.3734 |
2.4654 |
3.9015 |
2.4769 |
2.8146 |
1.7804 |
0.0039 |
1.7824 |
2.8877 |
2.1850 |
2.8182 |
1.1017 |
3.3756 |
2.4674 |
3.9009 |
2.4777 |
2.8109 |
1.7799 |
| 1.7792 |
| H24 |
2.7604 |
2.1252 |
3.2187 |
1.0979 |
2.6934 |
2.9536 |
4.1317 |
2.8127 |
3.7527 |
1.7773 |
1.7760 |
0.0046 |
2.7614 |
2.1248 |
3.2175 |
1.0987 |
2.6965 |
2.9537 |
4.1317 |
2.8109 |
3.7498 |
1.7761 |
1.7792 |
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Maximum atom distance is 5.0703Å
between atoms H7 and H10.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
|
N1 |
N2 |
C4 |
117.323 |
|
N2 |
N1 |
C3 |
117.323 |
Calculated Bond Angles (degrees) (Involving Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
|
N1 |
N2 |
H6 |
106.287 |
|
N1 |
C3 |
H7 |
107.804 |
|
N1 |
C3 |
H8 |
114.812 |
|
N1 |
C3 |
H9 |
110.058 |
|
N2 |
N1 |
H5 |
106.287 |
|
N2 |
C4 |
H10 |
107.804 |
|
N2 |
C4 |
H11 |
114.812 |
|
N2 |
C4 |
H12 |
110.058 |
|
C3 |
N1 |
H5 |
110.201 |
|
C4 |
N2 |
H6 |
110.201 |
|
H7 |
C3 |
H8 |
108.076 |
|
H7 |
C3 |
H9 |
107.950 |
|
H8 |
C3 |
H9 |
107.931 |
|
H10 |
C4 |
H11 |
108.076 |
|
H10 |
C4 |
H12 |
107.950 |
|
H11 |
C4 |
H12 |
107.931 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.