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	hartrees
Energy at 0K	-189.298820
Energy at 298.15K
HF Energy	-189.298820
Nuclear repulsion energy	121.919072

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.623	-0.786
N2	0.000	-0.623	-0.786
C3	0.000	1.354	0.505
C4	0.000	-1.354	0.505
H5	0.000	2.423	0.275
H6	0.000	-2.423	0.275
H7	-0.893	1.104	1.099
H8	0.893	1.104	1.099
H9	0.893	-1.104	1.099
H10	-0.893	-1.104	1.099

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2468	1.4829	2.3613	2.0891	3.2260	2.1404	2.1404	2.7080	2.7080
N2	1.2468		2.3613	1.4829	3.2260	2.0891	2.7080	2.7080	2.1404	2.1404
C3	1.4829	2.3613		2.7085	1.0935	3.7846	1.1016	1.1016	2.6819	2.6819
C4	2.3613	1.4829	2.7085		3.7846	1.0935	2.6819	2.6819	1.1016	1.1016
H5	2.0891	3.2260	1.0935	3.7846		4.8467	1.7939	1.7939	3.7306	3.7306
H6	3.2260	2.0891	3.7846	1.0935	4.8467		3.7306	3.7306	1.7939	1.7939
H7	2.1404	2.7080	1.1016	2.6819	1.7939	3.7306		1.7855	2.8393	2.2076
H8	2.1404	2.7080	1.1016	2.6819	1.7939	3.7306	1.7855		2.2076	2.8393
H9	2.7080	2.1404	2.6819	1.1016	3.7306	1.7939	2.8393	2.2076		1.7855
H10	2.7080	2.1404	2.6819	1.1016	3.7306	1.7939	2.2076	2.8393	1.7855

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	119.529	N1	C3	H5	107.398
N1	C3	H7	110.961	N1	C3	H8	110.961
N2	N1	C3	119.529	N2	C4	H6	107.398
N2	C4	H9	110.961	N2	C4	H10	110.961
H5	C3	H7	109.618	H5	C3	H8	109.618
H6	C4	H9	109.618	H6	C4	H10	109.618
H7	C3	H8	108.275	H9	C4	H10	108.275

Number	Element	Mulliken
1	N	-0.316
2	N	-0.316
3	C	0.618
4	C	0.618
5	H	-0.321
6	H	-0.321
7	H	0.009
8	H	0.009
9	H	0.009
10	H	0.009

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

using model chemistry: TPSSh/aug-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>	80.161
(<r²>)^1/2	8.953

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

using model chemistry: TPSSh/aug-cc-pVDZ

States and conformations

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