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	hartrees
Energy at 0K	-189.343423
Energy at 298.15K	-189.350824
HF Energy	-189.343423
Nuclear repulsion energy	120.062925

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3107	3000	0.00
2	A_g	3020	2916	0.00
3	A_g	1670	1612	0.00
4	A_g	1473	1422	0.00
5	A_g	1412	1363	0.00
6	A_g	1210	1168	0.00
7	A_g	921	889	0.00
8	A_g	595	574	0.00
9	A_u	3096	2989	26.44
10	A_u	1476	1425	17.75
11	A_u	1141	1101	1.17
12	A_u	294	283	6.84
13	A_u	154	149	2.39
14	B_g	3096	2989	0.00
15	B_g	1476	1425	0.00
16	B_g	1045	1009	0.00
17	B_g	217	210	0.00
18	B_u	3107	2999	36.25
19	B_u	3019	2915	50.89
20	B_u	1479	1428	31.83
21	B_u	1418	1369	2.08
22	B_u	1141	1101	0.59
23	B_u	1014	979	9.21
24	B_u	351	339	15.39

Atom	x (Å)	y (Å)	z (Å)
N1	0.367	0.495	0.000
N2	-0.367	-0.495	0.000
C3	-0.367	1.761	0.000
C4	0.367	-1.761	0.000
H5	-1.449	1.612	0.000
H6	1.449	-1.612	0.000
H7	-0.056	2.330	0.879
H8	-0.056	2.330	-0.879
H9	0.056	-2.330	0.879
H10	0.056	-2.330	-0.879

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2326	1.4634	2.2564	2.1322	2.3688	2.0782	2.0782	2.9753	2.9753
N2	1.2326		2.2564	1.4634	2.3688	2.1322	2.9753	2.9753	2.0782	2.0782
C3	1.4634	2.2564		3.5981	1.0928	3.8311	1.0924	1.0924	4.2062	4.2062
C4	2.2564	1.4634	3.5981		3.8311	1.0928	4.2062	4.2062	1.0924	1.0924
H5	2.1322	2.3688	1.0928	3.8311		4.3355	1.7975	1.7975	4.3103	4.3103
H6	2.3688	2.1322	3.8311	1.0928	4.3355		4.3103	4.3103	1.7975	1.7975
H7	2.0782	2.9753	1.0924	4.2062	1.7975	4.3103		1.7582	4.6618	4.9823
H8	2.0782	2.9753	1.0924	4.2062	1.7975	4.3103	1.7582		4.9823	4.6618
H9	2.9753	2.0782	4.2062	1.0924	4.3103	1.7975	4.6618	4.9823		1.7582
H10	2.9753	2.0782	4.2062	1.0924	4.3103	1.7975	4.9823	4.6618	1.7582

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	113.360	N1	C3	H5	112.242
N1	C3	H7	107.926	N1	C3	H8	107.926
N2	N1	C3	113.360	N2	C4	H6	112.242
N2	C4	H9	107.926	N2	C4	H10	107.926
H5	C3	H7	110.692	H5	C3	H8	110.692
H6	C4	H9	110.692	H6	C4	H10	110.692
H7	C3	H8	107.169	H9	C4	H10	107.169

All results from a given calculation for CH₃NNCH₃ ((E)-1,2-Dimethyldiazene)

using model chemistry: B3LYP/TZVP

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	N	-0.083
2	N	-0.083
3	C	-0.299
4	C	-0.299
5	H	0.117
6	H	0.117
7	H	0.132
8	H	0.132
9	H	0.132
10	H	0.132

	x	y	z
x	5.444	-0.155	0.000
y	-0.155	8.887	0.000
z	0.000	0.000	4.764

<r²>	93.689
(<r²>)^1/2	9.679

All results from a given calculation for CH3NNCH3 ((E)-1,2-Dimethyldiazene)

using model chemistry: B3LYP/TZVP

States and conformations

All results from a given calculation for CH₃NNCH₃ ((E)-1,2-Dimethyldiazene)