Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CH₃NNCH₃ ((E)-1,2-Dimethyldiazene)

using model chemistry: CCSD=FULL/aug-cc-pVTZ

States and conformations

Geometric Data calculated at CCSD=FULL/aug-cc-pVTZ

Point Group is C_2h

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
N1	0.368	0.493	0.000
N2	-0.368	-0.493	0.000
C3	-0.368	1.749	0.000
C4	0.368	-1.749	0.000
H5	-1.443	1.585	0.000
H6	1.443	-1.585	0.000
H7	-0.067	2.314	0.880
H8	-0.067	2.314	-0.880
H9	0.067	-2.314	0.880
H10	0.067	-2.314	-0.880

Atom - Atom Distances (Å)

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2292	1.4561	2.2420	2.1150	2.3397	2.0687	2.0687	2.9563	2.9563
N2	1.2292		2.2420	1.4561	2.3397	2.1150	2.9563	2.9563	2.0687	2.0687
C3	1.4561	2.2420		3.5752	1.0882	3.7946	1.0878	1.0878	4.1799	4.1799
C4	2.2420	1.4561	3.5752		3.7946	1.0882	4.1799	4.1799	1.0878	1.0878
H5	2.1150	2.3397	1.0882	3.7946		4.2876	1.7889	1.7889	4.2726	4.2726
H6	2.3397	2.1150	3.7946	1.0882	4.2876		4.2726	4.2726	1.7889	1.7889
H7	2.0687	2.9563	1.0878	4.1799	1.7889	4.2726		1.7601	4.6292	4.9525
H8	2.0687	2.9563	1.0878	4.1799	1.7889	4.2726	1.7601		4.9525	4.6292
H9	2.9563	2.0687	4.1799	1.0878	4.2726	1.7889	4.6292	4.9525		1.7601
H10	2.9563	2.0687	4.1799	1.0878	4.2726	1.7889	4.9525	4.6292	1.7601

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	N2	C4	112.944		N1	C3	H5	111.641
N1	C3	H7	107.945		N1	C3	H8	107.945
N2	N1	C3	112.944		N2	C4	H6	111.641
N2	C4	H9	107.945		N2	C4	H10	107.945
H5	C3	H7	110.588		H5	C3	H8	110.588
H6	C4	H9	110.588		H6	C4	H10	110.588
H7	C3	H8	108.002		H9	C4	H10	108.002