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	hartrees
Energy at 0K	-189.328002
Energy at 298.15K	-189.335408
HF Energy	-189.328002
Nuclear repulsion energy	119.951938

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3103	3000	0.00
2	A_g	3015	2914	0.00
3	A_g	1675	1619	0.00
4	A_g	1470	1421	0.00
5	A_g	1405	1358	0.00
6	A_g	1209	1169	0.00
7	A_g	923	892	0.00
8	A_g	594	574	0.00
9	A_u	3091	2988	31.24
10	A_u	1473	1424	16.86
11	A_u	1137	1099	1.61
12	A_u	290	280	6.05
13	A_u	158	153	2.52
14	B_g	3091	2988	0.00
15	B_g	1472	1423	0.00
16	B_g	1041	1007	0.00
17	B_g	223	216	0.00
18	B_u	3102	2999	38.46
19	B_u	3013	2913	53.43
20	B_u	1477	1428	32.57
21	B_u	1410	1363	3.14
22	B_u	1137	1099	1.51
23	B_u	1015	981	10.52
24	B_u	350	338	14.53

Atom	x (Å)	y (Å)	z (Å)
N1	0.370	0.495	0.000
N2	-0.370	-0.495	0.000
C3	-0.370	1.761	0.000
C4	0.370	-1.761	0.000
H5	-1.452	1.603	0.000
H6	1.452	-1.603	0.000
H7	-0.060	2.330	0.881
H8	-0.060	2.330	-0.881
H9	0.060	-2.330	0.881
H10	0.060	-2.330	-0.881

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2360	1.4654	2.2558	2.1322	2.3612	2.0805	2.0805	2.9759	2.9759
N2	1.2360		2.2558	1.4654	2.3612	2.1322	2.9759	2.9759	2.0805	2.0805
C3	1.4654	2.2558		3.5978	1.0937	3.8254	1.0937	1.0937	4.2067	4.2067
C4	2.2558	1.4654	3.5978		3.8254	1.0937	4.2067	4.2067	1.0937	1.0937
H5	2.1322	2.3612	1.0937	3.8254		4.3261	1.8004	1.8004	4.3055	4.3055
H6	2.3612	2.1322	3.8254	1.0937	4.3261		4.3055	4.3055	1.8004	1.8004
H7	2.0805	2.9759	1.0937	4.2067	1.8004	4.3055		1.7613	4.6625	4.9841
H8	2.0805	2.9759	1.0937	4.2067	1.8004	4.3055	1.7613		4.9841	4.6625
H9	2.9759	2.0805	4.2067	1.0937	4.3055	1.8004	4.6625	4.9841		1.7613
H10	2.9759	2.0805	4.2067	1.0937	4.3055	1.8004	4.9841	4.6625	1.7613

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	112.965	N1	C3	H5	112.032
N1	C3	H7	107.892	N1	C3	H8	107.892
N2	N1	C3	112.965	N2	C4	H6	112.032
N2	C4	H9	107.892	N2	C4	H10	107.892
H5	C3	H7	110.788	H5	C3	H8	110.788
H6	C4	H9	110.788	H6	C4	H10	110.788
H7	C3	H8	107.262	H9	C4	H10	107.262

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

using model chemistry: B3LYP/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	-0.155
2	N	-0.155
3	C	-0.181
4	C	-0.181
5	H	0.098
6	H	0.098
7	H	0.119
8	H	0.119
9	H	0.119
10	H	0.119

	x	y	z
x	5.185	-0.340	0.000
y	-0.340	8.768	0.000
z	0.000	0.000	4.378

<r²>	93.613
(<r²>)^1/2	9.675

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

using model chemistry: B3LYP/6-311G**

States and conformations

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