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: B2PLYP=FULL/aug-cc-pVDZ

States and conformations

Geometric Data calculated at B2PLYP=FULL/aug-cc-pVDZ

Point Group is C_2h

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
N1	0.373	0.500	0.000
N2	-0.373	-0.500	0.000
C3	-0.373	1.763	0.000
C4	0.373	-1.763	0.000
H5	-1.459	1.597	0.000
H6	1.459	-1.597	0.000
H7	-0.065	2.334	0.886
H8	-0.065	2.334	-0.886
H9	0.065	-2.334	0.886
H10	0.065	-2.334	-0.886

Atom - Atom Distances (Å)

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2478	1.4667	2.2631	2.1349	2.3612	2.0829	2.0829	2.9852	2.9852
N2	1.2478		2.2631	1.4667	2.3612	2.1349	2.9852	2.9852	2.0829	2.0829
C3	1.4667	2.2631		3.6040	1.0985	3.8265	1.0982	1.0982	4.2142	4.2142
C4	2.2631	1.4667	3.6040		3.8265	1.0985	4.2142	4.2142	1.0982	1.0982
H5	2.1349	2.3612	1.0985	3.8265		4.3254	1.8091	1.8091	4.3073	4.3073
H6	2.3612	2.1349	3.8265	1.0985	4.3254		4.3073	4.3073	1.8091	1.8091
H7	2.0829	2.9852	1.0982	4.2142	1.8091	4.3073		1.7721	4.6692	4.9942
H8	2.0829	2.9852	1.0982	4.2142	1.8091	4.3073	1.7721		4.9942	4.6692
H9	2.9852	2.0829	4.2142	1.0982	4.3073	1.8091	4.6692	4.9942		1.7721
H10	2.9852	2.0829	4.2142	1.0982	4.3073	1.8091	4.9942	4.6692	1.7721

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	N2	C4	112.717		N1	C3	H5	111.859
N1	C3	H7	107.736		N1	C3	H8	107.736
N2	N1	C3	112.717		N2	C4	H6	111.859
N2	C4	H9	107.736		N2	C4	H10	107.736
H5	C3	H7	110.878		H5	C3	H8	110.878
H6	C4	H9	110.878		H6	C4	H10	110.878
H7	C3	H8	107.575		H9	C4	H10	107.575