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	hartrees
Energy at 0K	-189.232745
Energy at 298.15K	-189.240062
HF Energy	-189.232745
Nuclear repulsion energy	117.909996

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3142	3021	0.00
2	A_g	3033	2916	0.00
3	A_g	1583	1522	0.00
4	A_g	1487	1429	0.00
5	A_g	1426	1371	0.00
6	A_g	1195	1149	0.00
7	A_g	900	865	0.00
8	A_g	572	550	0.00
9	A_u	3134	3013	48.52
10	A_u	1494	1437	31.55
11	A_u	1144	1100	0.51
12	A_u	282	271	11.17
13	A_u	155	149	3.44
14	B_g	3134	3012	0.00
15	B_g	1494	1437	0.00
16	B_g	1047	1006	0.00
17	B_g	213	205	0.00
18	B_u	3142	3020	53.90
19	B_u	3032	2914	64.24
20	B_u	1496	1438	39.42
21	B_u	1431	1376	8.67
22	B_u	1141	1097	3.00
23	B_u	1014	975	3.59
24	B_u	333	320	19.42

Atom	x (Å)	y (Å)	z (Å)
N1	0.377	0.516	0.000
N2	-0.377	-0.516	0.000
C3	-0.377	1.794	0.000
C4	0.377	-1.794	0.000
H5	-1.464	1.642	0.000
H6	1.464	-1.642	0.000
H7	-0.070	2.366	0.885
H8	-0.070	2.366	-0.885
H9	0.070	-2.366	0.885
H10	0.070	-2.366	-0.885

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2774	1.4837	2.3100	2.1575	2.4162	2.0993	2.0993	3.0306	3.0306
N2	1.2774		2.3100	1.4837	2.4162	2.1575	3.0306	3.0306	2.0993	2.0993
C3	1.4837	2.3100		3.6665	1.0978	3.8979	1.0973	1.0973	4.2771	4.2771
C4	2.3100	1.4837	3.6665		3.8979	1.0978	4.2771	4.2771	1.0973	1.0973
H5	2.1575	2.4162	1.0978	3.8979		4.3994	1.8028	1.8028	4.3821	4.3821
H6	2.4162	2.1575	3.8979	1.0978	4.3994		4.3821	4.3821	1.8028	1.8028
H7	2.0993	3.0306	1.0973	4.2771	1.8028	4.3821		1.7694	4.7351	5.0549
H8	2.0993	3.0306	1.0973	4.2771	1.8028	4.3821	1.7694		5.0549	4.7351
H9	3.0306	2.0993	4.2771	1.0973	4.3821	1.8028	4.7351	5.0549		1.7694
H10	3.0306	2.0993	4.2771	1.0973	4.3821	1.8028	5.0549	4.7351	1.7694

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	113.367	N1	C3	H5	112.534
N1	C3	H7	107.915	N1	C3	H8	107.915
N2	N1	C3	113.367	N2	C4	H6	112.534
N2	C4	H9	107.915	N2	C4	H10	107.915
H5	C3	H7	110.420	H5	C3	H8	110.420
H6	C4	H9	110.420	H6	C4	H10	110.420
H7	C3	H8	107.456	H9	C4	H10	107.456

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

using model chemistry: B3LYP/SDD

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	-0.072
2	N	-0.072
3	C	-0.590
4	C	-0.590
5	H	0.220
6	H	0.220
7	H	0.221
8	H	0.221
9	H	0.221
10	H	0.221

	x	y	z
x	4.350	0.053	0.000
y	0.053	7.932	0.000
z	0.000	0.000	3.861

<r²>	96.034
(<r²>)^1/2	9.800

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

using model chemistry: B3LYP/SDD

States and conformations

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