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	hartrees
Energy at 0K	-186.882922
Energy at 298.15K	-186.889934
HF Energy	-186.882922
Nuclear repulsion energy	115.293581

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3471	3098	0.00
2	A_g	3281	2928	0.00
3	A_g	1647	1470	0.00
4	A_g	1562	1394	0.00
5	A_g	1494	1333	0.00
6	A_g	1222	1091	0.00
7	A_g	937	836	0.00
8	A_g	568	507	0.00
9	A_u	3458	3086	0.04
10	A_u	1637	1461	11.73
11	A_u	1157	1033	0.32
12	A_u	280	250	5.41
13	A_u	143	128	0.99
14	B_g	3458	3086	0.00
15	B_g	1636	1460	0.00
16	B_g	1060	946	0.00
17	B_g	188	168	0.00
18	B_u	3470	3097	1.61
19	B_u	3281	2928	0.47
20	B_u	1642	1465	12.54
21	B_u	1508	1346	5.69
22	B_u	1146	1022	1.78
23	B_u	1021	912	9.01
24	B_u	340	304	8.70

Atom	x (Å)	y (Å)	z (Å)
N1	0.424	0.511	0.000
N2	-0.424	-0.511	0.000
C3	-0.424	1.808	0.000
C4	0.424	-1.808	0.000
H5	-1.507	1.597	0.000
H6	1.507	-1.597	0.000
H7	-0.147	2.391	0.897
H8	-0.147	2.391	-0.897
H9	0.147	-2.391	0.897
H10	0.147	-2.391	-0.897

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.3277	1.5496	2.3188	2.2157	2.3697	2.1595	2.1595	3.0496	3.0496
N2	1.3277		2.3188	1.5496	2.3697	2.2157	3.0496	3.0496	2.1595	2.1595
C3	1.5496	2.3188		3.7139	1.1039	3.9143	1.1047	1.1047	4.3311	4.3311
C4	2.3188	1.5496	3.7139		3.9143	1.1039	4.3311	4.3311	1.1047	1.1047
H5	2.2157	2.3697	1.1039	3.9143		4.3917	1.8128	1.8128	4.4090	4.4090
H6	2.3697	2.2157	3.9143	1.1039	4.3917		4.4090	4.4090	1.8128	1.8128
H7	2.1595	3.0496	1.1047	4.3311	1.8128	4.4090		1.7930	4.7906	5.1151
H8	2.1595	3.0496	1.1047	4.3311	1.8128	4.4090	1.7930		5.1151	4.7906
H9	3.0496	2.1595	4.3311	1.1047	4.4090	1.8128	4.7906	5.1151		1.7930
H10	3.0496	2.1595	4.3311	1.1047	4.4090	1.8128	5.1151	4.7906	1.7930

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	107.136	N1	C3	H5	112.142
N1	C3	H7	107.715	N1	C3	H8	107.715
N2	N1	C3	107.136	N2	C4	H6	112.142
N2	C4	H9	107.715	N2	C4	H10	107.715
H5	C3	H7	110.325	H5	C3	H8	110.325
H6	C4	H9	110.325	H6	C4	H10	110.325
H7	C3	H8	108.493	H9	C4	H10	108.493

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

using model chemistry: B3LYP/STO-3G

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	-0.109
2	N	-0.109
3	C	-0.165
4	C	-0.165
5	H	0.092
6	H	0.092
7	H	0.091
8	H	0.091
9	H	0.091
10	H	0.091

	x	y	z
x	2.209	-0.163	0.000
y	-0.163	5.346	0.000
z	0.000	0.000	2.029

<r²>	97.393
(<r²>)^1/2	9.869

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

using model chemistry: B3LYP/STO-3G

States and conformations

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