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=FULL/aug-cc-pVDZ

States and conformations

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

Point Group is C_2v

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.626	-0.790
N2	0.000	-0.626	-0.790
C3	0.000	1.351	0.508
C4	0.000	-1.351	0.508
H5	0.000	2.425	0.281
H6	0.000	-2.425	0.281
H7	-0.897	1.103	1.101
H8	0.897	1.103	1.101
H9	0.897	-1.103	1.101
H10	-0.897	-1.103	1.101

Atom - Atom Distances (Å)

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2520	1.4866	2.3650	2.0936	3.2333	2.1467	2.1467	2.7149	2.7149
N2	1.2520		2.3650	1.4866	3.2333	2.0936	2.7149	2.7149	2.1467	2.1467
C3	1.4866	2.3650		2.7022	1.0971	3.7825	1.1035	1.1035	2.6794	2.6794
C4	2.3650	1.4866	2.7022		3.7825	1.0971	2.6794	2.6794	1.1035	1.1035
H5	2.0936	3.2333	1.0971	3.7825		4.8492	1.7950	1.7950	3.7311	3.7311
H6	3.2333	2.0936	3.7825	1.0971	4.8492		3.7311	3.7311	1.7950	1.7950
H7	2.1467	2.7149	1.1035	2.6794	1.7950	3.7311		1.7934	2.8432	2.2063
H8	2.1467	2.7149	1.1035	2.6794	1.7950	3.7311	1.7934		2.2063	2.8432
H9	2.7149	2.1467	2.6794	1.1035	3.7311	1.7950	2.8432	2.2063		1.7934
H10	2.7149	2.1467	2.6794	1.1035	3.7311	1.7950	2.2063	2.8432	1.7934

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	N2	C4	119.192		N1	C3	H5	107.292
N1	C3	H7	111.092		N1	C3	H8	111.092
N2	N1	C3	119.192		N2	C4	H6	107.292
N2	C4	H9	111.092		N2	C4	H10	111.092
H5	C3	H7	109.316		H5	C3	H8	109.316
H6	C4	H9	109.316		H6	C4	H10	109.316
H7	C3	H8	108.701		H9	C4	H10	108.701