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	hartrees
Energy at 0K	-189.085388
Energy at 298.15K	-189.092730
HF Energy	-189.085388
Nuclear repulsion energy	119.441368

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3042	3014	0.00
2	A_g	2947	2920	0.00
3	A_g	1598	1584	0.00
4	A_g	1414	1401	0.00
5	A_g	1343	1331	0.00
6	A_g	1167	1156	0.00
7	A_g	892	884	0.00
8	A_g	580	575	0.00
9	A_u	3035	3007	23.24
10	A_u	1418	1405	17.63
11	A_u	1093	1083	1.02
12	A_u	283	280	5.86
13	A_u	163	161	3.43
14	B_g	3035	3007	0.00
15	B_g	1417	1404	0.00
16	B_g	996	987	0.00
17	B_g	228	226	0.00
18	B_u	3042	3014	35.87
19	B_u	2945	2918	56.41
20	B_u	1422	1409	35.21
21	B_u	1351	1339	6.24
22	B_u	1093	1083	1.50
23	B_u	990	981	15.38
24	B_u	340	337	14.80

Atom	x (Å)	y (Å)	z (Å)
N1	0.375	0.499	0.000
N2	-0.375	-0.499	0.000
C3	-0.375	1.760	0.000
C4	0.375	-1.760	0.000
H5	-1.466	1.599	0.000
H6	1.466	-1.599	0.000
H7	-0.064	2.338	0.885
H8	-0.064	2.338	-0.885
H9	0.064	-2.338	0.885
H10	0.064	-2.338	-0.885

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2488	1.4672	2.2596	2.1439	2.3644	2.0872	2.0872	2.9883	2.9883
N2	1.2488		2.2596	1.4672	2.3644	2.1439	2.9883	2.9883	2.0872	2.0872
C3	1.4672	2.2596		3.5996	1.1026	3.8301	1.1019	1.1019	4.2156	4.2156
C4	2.2596	1.4672	3.5996		3.8301	1.1026	4.2156	4.2156	1.1019	1.1019
H5	2.1439	2.3644	1.1026	3.8301		4.3375	1.8155	1.8155	4.3148	4.3148
H6	2.3644	2.1439	3.8301	1.1026	4.3375		4.3148	4.3148	1.8155	1.8155
H7	2.0872	2.9883	1.1019	4.2156	1.8155	4.3148		1.7704	4.6775	5.0013
H8	2.0872	2.9883	1.1019	4.2156	1.8155	4.3148	1.7704		5.0013	4.6775
H9	2.9883	2.0872	4.2156	1.1019	4.3148	1.8155	4.6775	5.0013		1.7704
H10	2.9883	2.0872	4.2156	1.1019	4.3148	1.8155	5.0013	4.6775	1.7704

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	112.354	N1	C3	H5	112.305
N1	C3	H7	107.821	N1	C3	H8	107.821
N2	N1	C3	112.354	N2	C4	H6	112.305
N2	C4	H9	107.821	N2	C4	H10	107.821
H5	C3	H7	110.884	H5	C3	H8	110.884
H6	C4	H9	110.884	H6	C4	H10	110.884
H7	C3	H8	106.902	H9	C4	H10	106.902

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

using model chemistry: PBEPBE/6-311G**

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	-0.148
2	N	-0.148
3	C	-0.225
4	C	-0.225
5	H	0.107
6	H	0.107
7	H	0.133
8	H	0.133
9	H	0.133
10	H	0.133

	x	y	z
x	5.455	-0.497	0.000
y	-0.497	9.283	0.000
z	0.000	0.000	4.504

<r²>	94.000
(<r²>)^1/2	9.695

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

using model chemistry: PBEPBE/6-311G**

States and conformations

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