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 ((Z)-1,2-Dimethyldiazene)

using model chemistry: CCSD(T)=FULL/cc-pVTZ

States and conformations

Geometric Data calculated at CCSD(T)=FULL/cc-pVTZ

Point Group is C_2v

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.622	0.786
N2	0.000	-0.622	0.786
C3	0.000	1.337	-0.504
C4	0.000	-1.337	-0.504
H5	0.000	2.398	-0.290
H6	0.000	-2.398	-0.290
H7	0.884	1.087	-1.091
H8	-0.884	1.087	-1.091
H9	-0.884	-1.087	-1.091
H10	0.884	-1.087	-1.091

Atom - Atom Distances (Å)

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2440	1.4748	2.3453	2.0764	3.2059	2.1258	2.1258	2.6876	2.6876
N2	1.2440		2.3453	1.4748	3.2059	2.0764	2.6876	2.6876	2.1258	2.1258
C3	1.4748	2.3453		2.6733	1.0829	3.7409	1.0897	1.0897	2.6456	2.6456
C4	2.3453	1.4748	2.6733		3.7409	1.0829	2.6456	2.6456	1.0897	1.0897
H5	2.0764	3.2059	1.0829	3.7409		4.7962	1.7725	1.7725	3.6835	3.6835
H6	3.2059	2.0764	3.7409	1.0829	4.7962		3.6835	3.6835	1.7725	1.7725
H7	2.1258	2.6876	1.0897	2.6456	1.7725	3.6835		1.7675	2.8018	2.1739
H8	2.1258	2.6876	1.0897	2.6456	1.7725	3.6835	1.7675		2.1739	2.8018
H9	2.6876	2.1258	2.6456	1.0897	3.6835	1.7725	2.8018	2.1739		1.7675
H10	2.6876	2.1258	2.6456	1.0897	3.6835	1.7725	2.1739	2.8018	1.7675

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	N2	C4	118.986		N1	C3	H5	107.562
N1	C3	H7	111.090		N1	C3	H8	111.090
N2	N1	C3	118.986		N2	C4	H6	107.562
N2	C4	H9	111.090		N2	C4	H10	111.090
H5	C3	H7	109.341		H5	C3	H8	109.341
H6	C4	H9	109.341		H6	C4	H10	109.341
H7	C3	H8	108.390		H9	C4	H10	108.390