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	hartrees
Energy at 0K	-189.070649
Energy at 298.15K	-189.078100
HF Energy	-189.070649
Nuclear repulsion energy	120.308959

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3154	3010	0.00
2	A_g	3051	2912	0.00
3	A_g	1725	1647	0.00
4	A_g	1479	1411	0.00
5	A_g	1415	1351	0.00
6	A_g	1231	1175	0.00
7	A_g	944	901	0.00
8	A_g	604	576	0.00
9	A_u	3142	2998	24.34
10	A_u	1483	1415	14.77
11	A_u	1139	1087	0.25
12	A_u	294	281	7.09
13	A_u	169	161	3.29
14	B_g	3142	2998	0.00
15	B_g	1482	1414	0.00
16	B_g	1038	990	0.00
17	B_g	234	224	0.00
18	B_u	3154	3010	32.46
19	B_u	3050	2910	44.17
20	B_u	1486	1418	25.57
21	B_u	1417	1352	1.93
22	B_u	1145	1092	0.42
23	B_u	1056	1008	9.85
24	B_u	353	337	15.26

Atom	x (Å)	y (Å)	z (Å)
N1	0.372	0.495	0.000
N2	-0.372	-0.495	0.000
C3	-0.372	1.747	0.000
C4	0.372	-1.747	0.000
H5	-1.455	1.590	0.000
H6	1.455	-1.590	0.000
H7	-0.067	2.323	0.880
H8	-0.067	2.323	-0.880
H9	0.067	-2.323	0.880
H10	0.067	-2.323	-0.880

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2385	1.4562	2.2428	2.1299	2.3502	2.0756	2.0756	2.9682	2.9682
N2	1.2385		2.2428	1.4562	2.3502	2.1299	2.9682	2.9682	2.0756	2.0756
C3	1.4562	2.2428		3.5732	1.0950	3.8050	1.0949	1.0949	4.1876	4.1876
C4	2.2428	1.4562	3.5732		3.8050	1.0950	4.1876	4.1876	1.0949	1.0949
H5	2.1299	2.3502	1.0950	3.8050		4.3112	1.7996	1.7996	4.2902	4.2902
H6	2.3502	2.1299	3.8050	1.0950	4.3112		4.2902	4.2902	1.7996	1.7996
H7	2.0756	2.9682	1.0949	4.1876	1.7996	4.2902		1.7607	4.6479	4.9702
H8	2.0756	2.9682	1.0949	4.1876	1.7996	4.2902	1.7607		4.9702	4.6479
H9	2.9682	2.0756	4.1876	1.0949	4.2902	1.7996	4.6479	4.9702		1.7607
H10	2.9682	2.0756	4.1876	1.0949	4.2902	1.7996	4.9702	4.6479	1.7607

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	112.422	N1	C3	H5	112.434
N1	C3	H7	108.062	N1	C3	H8	108.062
N2	N1	C3	112.422	N2	C4	H6	112.434
N2	C4	H9	108.062	N2	C4	H10	108.062
H5	C3	H7	110.527	H5	C3	H8	110.527
H6	C4	H9	110.527	H6	C4	H10	110.527
H7	C3	H8	107.033	H9	C4	H10	107.033

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

using model chemistry: HSEh1PBE/6-31G**

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	-0.193
2	N	-0.193
3	C	-0.248
4	C	-0.248
5	H	0.139
6	H	0.139
7	H	0.151
8	H	0.151
9	H	0.151
10	H	0.151

	x	y	z
x	4.612	-0.175	0.000
y	-0.175	8.086	0.000
z	0.000	0.000	4.062

<r²>	92.532
(<r²>)^1/2	9.619

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

using model chemistry: HSEh1PBE/6-31G**

States and conformations

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