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	hartrees
Energy at 0K	-189.327028
Energy at 298.15K	-189.334419
HF Energy	-189.327028
Nuclear repulsion energy	119.873862

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3113	2999	0.00
2	A_g	3021	2910	0.00
3	A_g	1657	1596	0.00
4	A_g	1497	1442	0.00
5	A_g	1418	1366	0.00
6	A_g	1215	1170	0.00
7	A_g	921	887	0.00
8	A_g	586	565	0.00
9	A_u	3103	2989	44.07
10	A_u	1498	1443	15.15
11	A_u	1147	1105	2.23
12	A_u	288	277	6.27
13	A_u	160	154	2.61
14	B_g	3103	2989	0.00
15	B_g	1497	1442	0.00
16	B_g	1045	1006	0.00
17	B_g	225	217	0.00
18	B_u	3113	2998	51.63
19	B_u	3019	2908	63.55
20	B_u	1505	1450	30.83
21	B_u	1424	1371	2.21
22	B_u	1147	1104	2.00
23	B_u	1013	975	10.03
24	B_u	342	330	13.83

Atom	x (Å)	y (Å)	z (Å)
N1	0.373	0.496	0.000
N2	-0.373	-0.496	0.000
C3	-0.373	1.758	0.000
C4	0.373	-1.758	0.000
H5	-1.455	1.595	0.000
H6	1.455	-1.595	0.000
H7	-0.065	2.327	0.882
H8	-0.065	2.327	-0.882
H9	0.065	-2.327	0.882
H10	0.065	-2.327	-0.882

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2415	1.4667	2.2540	2.1331	2.3536	2.0792	2.0792	2.9735	2.9735
N2	1.2415		2.2540	1.4667	2.3536	2.1331	2.9735	2.9735	2.0792	2.0792
C3	1.4667	2.2540		3.5948	1.0938	3.8188	1.0937	1.0937	4.2023	4.2023
C4	2.2540	1.4667	3.5948		3.8188	1.0938	4.2023	4.2023	1.0937	1.0937
H5	2.1331	2.3536	1.0938	3.8188		4.3171	1.8016	1.8016	4.2974	4.2974
H6	2.3536	2.1331	3.8188	1.0938	4.3171		4.2974	4.2974	1.8016	1.8016
H7	2.0792	2.9735	1.0937	4.2023	1.8016	4.2974		1.7633	4.6561	4.9789
H8	2.0792	2.9735	1.0937	4.2023	1.8016	4.2974	1.7633		4.9789	4.6561
H9	2.9735	2.0792	4.2023	1.0937	4.2974	1.8016	4.6561	4.9789		1.7633
H10	2.9735	2.0792	4.2023	1.0937	4.2974	1.8016	4.9789	4.6561	1.7633

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	112.402	N1	C3	H5	112.008
N1	C3	H7	107.706	N1	C3	H8	107.706
N2	N1	C3	112.402	N2	C4	H6	112.008
N2	C4	H9	107.706	N2	C4	H10	107.706
H5	C3	H7	110.894	H5	C3	H8	110.894
H6	C4	H9	110.894	H6	C4	H10	110.894
H7	C3	H8	107.439	H9	C4	H10	107.439

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

using model chemistry: TPSSh/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	-0.143
2	N	-0.143
3	C	-0.486
4	C	-0.486
5	H	0.195
6	H	0.195
7	H	0.217
8	H	0.217
9	H	0.217
10	H	0.217

	x	y	z
x	5.121	-0.319	0.000
y	-0.319	8.683	0.000
z	0.000	0.000	4.291

<r²>	93.393
(<r²>)^1/2	9.664

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

using model chemistry: TPSSh/6-311G*

States and conformations

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