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	hartrees
Energy at 0K	-186.687987
Energy at 298.15K	-186.695078
HF Energy	-186.687987
Nuclear repulsion energy	116.257681

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3527	3111	0.00
2	A_g	3332	2939	0.00
3	A_g	1667	1471	0.00
4	A_g	1612	1422	0.00
5	A_g	1524	1345	0.00
6	A_g	1255	1107	0.00
7	A_g	966	852	0.00
8	A_g	584	515	0.00
9	A_u	3513	3099	0.23
10	A_u	1649	1454	13.63
11	A_u	1175	1037	0.52
12	A_u	288	254	5.59
13	A_u	148	131	1.17
14	B_g	3512	3098	0.00
15	B_g	1648	1454	0.00
16	B_g	1075	948	0.00
17	B_g	195	172	0.00
18	B_u	3526	3110	1.63
19	B_u	3331	2939	1.00
20	B_u	1654	1459	14.88
21	B_u	1525	1345	4.36
22	B_u	1164	1027	1.95
23	B_u	1070	944	8.13
24	B_u	348	307	9.25

Atom	x (Å)	y (Å)	z (Å)
N1	0.418	0.508	0.000
N2	-0.418	-0.508	0.000
C3	-0.418	1.791	0.000
C4	0.418	-1.791	0.000
H5	-1.499	1.583	0.000
H6	1.499	-1.583	0.000
H7	-0.142	2.374	0.893
H8	-0.142	2.374	-0.893
H9	0.142	-2.374	0.893
H10	0.142	-2.374	-0.893

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.3158	1.5317	2.2985	2.1984	2.3534	2.1432	2.1432	3.0293	3.0293
N2	1.3158		2.2985	1.5317	2.3534	2.1984	3.0293	3.0293	2.1432	2.1432
C3	1.5317	2.2985		3.6779	1.1008	3.8804	1.1017	1.1017	4.2959	4.2959
C4	2.2985	1.5317	3.6779		3.8804	1.1008	4.2959	4.2959	1.1017	1.1017
H5	2.1984	2.3534	1.1008	3.8804		4.3603	1.8070	1.8070	4.3755	4.3755
H6	2.3534	2.1984	3.8804	1.1008	4.3603		4.3755	4.3755	1.8070	1.8070
H7	2.1432	3.0293	1.1017	4.2959	1.8070	4.3755		1.7861	4.7559	5.0802
H8	2.1432	3.0293	1.1017	4.2959	1.8070	4.3755	1.7861		5.0802	4.7559
H9	3.0293	2.1432	4.2959	1.1017	4.3755	1.8070	4.7559	5.0802		1.7861
H10	3.0293	2.1432	4.2959	1.1017	4.3755	1.8070	5.0802	4.7559	1.7861

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	107.405	N1	C3	H5	112.216
N1	C3	H7	107.835	N1	C3	H8	107.835
N2	N1	C3	107.405	N2	C4	H6	112.216
N2	C4	H9	107.835	N2	C4	H10	107.835
H5	C3	H7	110.256	H5	C3	H8	110.256
H6	C4	H9	110.256	H6	C4	H10	110.256
H7	C3	H8	108.315	H9	C4	H10	108.315

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

using model chemistry: PBE1PBE/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	-0.110
2	N	-0.110
3	C	-0.181
4	C	-0.181
5	H	0.097
6	H	0.097
7	H	0.097
8	H	0.097
9	H	0.097
10	H	0.097

	x	y	z
x	2.139	-0.114	0.000
y	-0.114	5.116	0.000
z	0.000	0.000	1.981

<r²>	95.963
(<r²>)^1/2	9.796

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

using model chemistry: PBE1PBE/STO-3G

States and conformations

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