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	hartrees
Energy at 0K	-189.195833
Energy at 298.15K	-189.203136
HF Energy	-189.195833
Nuclear repulsion energy	118.480186

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3041	3017	0.00
2	A_g	2956	2932	0.00
3	A_g	1568	1555	0.00
4	A_g	1457	1445	0.00
5	A_g	1379	1368	0.00
6	A_g	1170	1160	0.00
7	A_g	883	875	0.00
8	A_g	571	566	0.00
9	A_u	3029	3004	35.73
10	A_u	1462	1450	10.97
11	A_u	1111	1102	0.43
12	A_u	278	276	6.13
13	A_u	163	162	3.23
14	B_g	3029	3004	0.00
15	B_g	1461	1449	0.00
16	B_g	1010	1002	0.00
17	B_g	226	224	0.00
18	B_u	3041	3016	46.75
19	B_u	2954	2930	54.81
20	B_u	1466	1454	20.46
21	B_u	1387	1376	1.05
22	B_u	1116	1107	0.37
23	B_u	955	947	9.72
24	B_u	339	337	13.65

Atom	x (Å)	y (Å)	z (Å)
N1	0.370	0.504	0.000
N2	-0.370	-0.504	0.000
C3	-0.370	1.784	0.000
C4	0.370	-1.784	0.000
H5	-1.466	1.645	0.000
H6	1.466	-1.645	0.000
H7	-0.056	2.359	0.887
H8	-0.056	2.359	-0.887
H9	0.056	-2.359	0.887
H10	0.056	-2.359	-0.887

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2502	1.4783	2.2877	2.1613	2.4121	2.1002	2.1002	3.0138	3.0138
N2	1.2502		2.2877	1.4783	2.4121	2.1613	3.0138	3.0138	2.1002	2.1002
C3	1.4783	2.2877		3.6434	1.1044	3.8891	1.1029	1.1029	4.2583	4.2583
C4	2.2877	1.4783	3.6434		3.8891	1.1044	4.2583	4.2583	1.1029	1.1029
H5	2.1613	2.4121	1.1044	3.8891		4.4063	1.8120	1.8120	4.3746	4.3746
H6	2.4121	2.1613	3.8891	1.1044	4.4063		4.3746	4.3746	1.8120	1.8120
H7	2.1002	3.0138	1.1029	4.2583	1.8120	4.3746		1.7742	4.7199	5.0423
H8	2.1002	3.0138	1.1029	4.2583	1.8120	4.3746	1.7742		5.0423	4.7199
H9	3.0138	2.1002	4.2583	1.1029	4.3746	1.8120	4.7199	5.0423		1.7742
H10	3.0138	2.1002	4.2583	1.1029	4.3746	1.8120	5.0423	4.7199	1.7742

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	113.686	N1	C3	H5	112.811
N1	C3	H7	108.026	N1	C3	H8	108.026
N2	N1	C3	113.686	N2	C4	H6	112.811
N2	C4	H9	108.026	N2	C4	H10	108.026
H5	C3	H7	110.344	H5	C3	H8	110.344
H6	C4	H9	110.344	H6	C4	H10	110.344
H7	C3	H8	107.083	H9	C4	H10	107.083

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

using model chemistry: BLYP/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	-0.166
2	N	-0.166
3	C	-0.281
4	C	-0.281
5	H	0.141
6	H	0.141
7	H	0.153
8	H	0.153
9	H	0.153
10	H	0.153

	x	y	z
x	4.721	-0.332	0.000
y	-0.332	8.518	0.000
z	0.000	0.000	4.089

<r²>	95.051
(<r²>)^1/2	9.749

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

using model chemistry: BLYP/6-31G*

States and conformations

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