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	hartrees
Energy at 0K	-189.267086
Energy at 298.15K
HF Energy	-189.267086
Nuclear repulsion energy	121.840172

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.621	-0.783
N2	0.000	-0.621	-0.783
C3	0.000	1.361	0.501
C4	0.000	-1.361	0.501
H5	0.000	2.433	0.268
H6	0.000	-2.433	0.268
H7	-0.893	1.121	1.105
H8	0.893	1.121	1.105
H9	0.893	-1.121	1.105
H10	-0.893	-1.121	1.105

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2412	1.4817	2.3607	2.0947	3.2290	2.1476	2.1476	2.7192	2.7192
N2	1.2412		2.3607	1.4817	3.2290	2.0947	2.7192	2.7192	2.1476	2.1476
C3	1.4817	2.3607		2.7210	1.0972	3.8003	1.1044	1.1044	2.7051	2.7051
C4	2.3607	1.4817	2.7210		3.8003	1.0972	2.7051	2.7051	1.1044	1.1044
H5	2.0947	3.2290	1.0972	3.8003		4.8654	1.7944	1.7944	3.7582	3.7582
H6	3.2290	2.0947	3.8003	1.0972	4.8654		3.7582	3.7582	1.7944	1.7944
H7	2.1476	2.7192	1.1044	2.7051	1.7944	3.7582		1.7851	2.8652	2.2411
H8	2.1476	2.7192	1.1044	2.7051	1.7944	3.7582	1.7851		2.2411	2.8652
H9	2.7192	2.1476	2.7051	1.1044	3.7582	1.7944	2.8652	2.2411		1.7851
H10	2.7192	2.1476	2.7051	1.1044	3.7582	1.7944	2.2411	2.8652	1.7851

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	119.957	N1	C3	H5	107.696
N1	C3	H7	111.454	N1	C3	H8	111.454
N2	N1	C3	119.957	N2	C4	H6	107.696
N2	C4	H9	111.454	N2	C4	H10	111.454
H5	C3	H7	109.181	H5	C3	H8	109.181
H6	C4	H9	109.181	H6	C4	H10	109.181
H7	C3	H8	107.840	H9	C4	H10	107.840

Number	Element	Mulliken
1	N	-0.143
2	N	-0.143
3	C	0.037
4	C	0.037
5	H	0.037
6	H	0.037
7	H	0.035
8	H	0.035
9	H	0.035
10	H	0.035

All results from a given calculation for CH₃NNCH₃ ((Z)-1,2-Dimethyldiazene)

using model chemistry: B3LYPultrafine/cc-pVDZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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<r²>	80.212
(<r²>)^1/2	8.956

All results from a given calculation for CH3NNCH3 ((Z)-1,2-Dimethyldiazene)

using model chemistry: B3LYPultrafine/cc-pVDZ

States and conformations

All results from a given calculation for CH₃NNCH₃ ((Z)-1,2-Dimethyldiazene)