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(T)=FULL/aug-cc-pVTZ

States and conformations

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

Point Group is C_2h

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
N1	0.372	0.496	0.000
N2	-0.372	-0.496	0.000
C3	-0.372	1.753	0.000
C4	0.372	-1.753	0.000
H5	-1.448	1.580	0.000
H6	1.448	-1.580	0.000
H7	-0.072	2.318	0.882
H8	-0.072	2.318	-0.882
H9	0.072	-2.318	0.882
H10	0.072	-2.318	-0.882

Atom - Atom Distances (Å)

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2396	1.4609	2.2485	2.1192	2.3386	2.0730	2.0730	2.9642	2.9642
N2	1.2396		2.2485	1.4609	2.3386	2.1192	2.9642	2.9642	2.0730	2.0730
C3	1.4609	2.2485		3.5838	1.0900	3.7981	1.0897	1.0897	4.1892	4.1892
C4	2.2485	1.4609	3.5838		3.7981	1.0900	4.1892	4.1892	1.0897	1.0897
H5	2.1192	2.3386	1.0900	3.7981		4.2876	1.7933	1.7933	4.2768	4.2768
H6	2.3386	2.1192	3.7981	1.0900	4.2876		4.2768	4.2768	1.7933	1.7933
H7	2.0730	2.9642	1.0897	4.1892	1.7933	4.2768		1.7639	4.6389	4.9629
H8	2.0730	2.9642	1.0897	4.1892	1.7933	4.2768	1.7639		4.9629	4.6389
H9	2.9642	2.0730	4.1892	1.0897	4.2768	1.7933	4.6389	4.9629		1.7639
H10	2.9642	2.0730	4.1892	1.0897	4.2768	1.7933	4.9629	4.6389	1.7639

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	N2	C4	112.479		N1	C3	H5	111.528
N1	C3	H7	107.841		N1	C3	H8	107.841
N2	N1	C3	112.479		N2	C4	H6	111.528
N2	C4	H9	107.841		N2	C4	H10	107.841
H5	C3	H7	110.716		H5	C3	H8	110.716
H6	C4	H9	110.716		H6	C4	H10	110.716
H7	C3	H8	108.060		H9	C4	H10	108.060