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	hartrees
Energy at 0K	-189.252987
Energy at 298.15K	-189.260536
HF Energy	-189.252987
Nuclear repulsion energy	120.550167

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3144	3003	0.00
2	A_g	3051	2914	0.00
3	A_g	1742	1664	0.00
4	A_g	1484	1417	0.00
5	A_g	1416	1353	0.00
6	A_g	1230	1175	0.00
7	A_g	949	906	0.00
8	A_g	614	587	0.00
9	A_u	3138	2997	15.31
10	A_u	1484	1417	15.22
11	A_u	1142	1091	1.32
12	A_u	301	287	6.26
13	A_u	196	187	2.31
14	B_g	3138	2997	0.00
15	B_g	1483	1417	0.00
16	B_g	1051	1004	0.00
17	B_g	237	227	0.00
18	B_u	3144	3003	19.89
19	B_u	3050	2913	38.00
20	B_u	1489	1422	30.10
21	B_u	1418	1354	1.51
22	B_u	1148	1096	1.86
23	B_u	1060	1012	7.15
24	B_u	361	345	15.06

Atom	x (Å)	y (Å)	z (Å)
N1	0.367	0.491	0.000
N2	-0.367	-0.491	0.000
C3	-0.367	1.753	0.000
C4	0.367	-1.753	0.000
H5	-1.445	1.593	0.000
H6	1.445	-1.593	0.000
H7	-0.060	2.320	0.879
H8	-0.060	2.320	-0.879
H9	0.060	-2.320	0.879
H10	0.060	-2.320	-0.879

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2260	1.4598	2.2439	2.1210	2.3465	2.0732	2.0732	2.9608	2.9608
N2	1.2260		2.2439	1.4598	2.3465	2.1210	2.9608	2.9608	2.0732	2.0732
C3	1.4598	2.2439		3.5818	1.0898	3.8052	1.0899	1.0899	4.1880	4.1880
C4	2.2439	1.4598	3.5818		3.8052	1.0898	4.1880	4.1880	1.0899	1.0899
H5	2.1210	2.3465	1.0898	3.8052		4.3019	1.7941	1.7941	4.2833	4.2833
H6	2.3465	2.1210	3.8052	1.0898	4.3019		4.2833	4.2833	1.7941	1.7941
H7	2.0732	2.9608	1.0899	4.1880	1.7941	4.2833		1.7575	4.6408	4.9624
H8	2.0732	2.9608	1.0899	4.1880	1.7941	4.2833	1.7575		4.9624	4.6408
H9	2.9608	2.0732	4.1880	1.0899	4.2833	1.7941	4.6408	4.9624		1.7575
H10	2.9608	2.0732	4.1880	1.0899	4.2833	1.7941	4.9624	4.6408	1.7575

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	113.036	N1	C3	H5	111.761
N1	C3	H7	107.925	N1	C3	H8	107.925
N2	N1	C3	113.036	N2	C4	H6	111.761
N2	C4	H9	107.925	N2	C4	H10	107.925
H5	C3	H7	110.794	H5	C3	H8	110.794
H6	C4	H9	110.794	H6	C4	H10	110.794
H7	C3	H8	107.474	H9	C4	H10	107.474

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

using model chemistry: M06-2X/cc-pVTZ

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	-0.106
2	N	-0.106
3	C	-0.183
4	C	-0.183
5	H	0.083
6	H	0.083
7	H	0.103
8	H	0.103
9	H	0.103
10	H	0.103

	x	y	z
x	5.368	-0.232	0.000
y	-0.232	8.675	0.000
z	0.000	0.000	4.657

<r²>	92.803
(<r²>)^1/2	9.633

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

using model chemistry: M06-2X/cc-pVTZ

States and conformations

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