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	hartrees
Energy at 0K	-189.313751
Energy at 298.15K	-189.321136
HF Energy	-189.313751
Nuclear repulsion energy	119.551540

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3113	3012	0.00
2	A_g	3015	2916	0.00
3	A_g	1653	1599	0.00
4	A_g	1459	1411	0.00
5	A_g	1391	1345	0.00
6	A_g	1204	1165	0.00
7	A_g	917	887	0.00
8	A_g	582	563	0.00
9	A_u	3104	3002	28.07
10	A_u	1461	1413	14.20
11	A_u	1127	1090	2.41
12	A_u	285	276	6.89
13	A_u	161	156	1.82
14	B_g	3104	3002	0.00
15	B_g	1461	1413	0.00
16	B_g	1024	991	0.00
17	B_g	222	215	0.00
18	B_u	3113	3011	41.54
19	B_u	3013	2915	60.03
20	B_u	1466	1418	28.76
21	B_u	1395	1350	1.68
22	B_u	1125	1088	2.31
23	B_u	1020	986	9.40
24	B_u	341	330	15.75

Atom	x (Å)	y (Å)	z (Å)
N1	0.373	0.498	0.000
N2	-0.373	-0.498	0.000
C3	-0.373	1.762	0.000
C4	0.373	-1.762	0.000
H5	-1.460	1.599	0.000
H6	1.460	-1.599	0.000
H7	-0.061	2.333	0.887
H8	-0.061	2.333	-0.887
H9	0.061	-2.333	0.887
H10	0.061	-2.333	-0.887

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2454	1.4680	2.2609	2.1382	2.3621	2.0830	2.0830	2.9830	2.9830
N2	1.2454		2.2609	1.4680	2.3621	2.1382	2.9830	2.9830	2.0830	2.0830
C3	1.4680	2.2609		3.6031	1.0994	3.8287	1.0993	1.0993	4.2125	4.2125
C4	2.2609	1.4680	3.6031		3.8287	1.0994	4.2125	4.2125	1.0993	1.0993
H5	2.1382	2.3621	1.0994	3.8287		4.3304	1.8117	1.8117	4.3076	4.3076
H6	2.3621	2.1382	3.8287	1.0994	4.3304		4.3076	4.3076	1.8117	1.8117
H7	2.0830	2.9830	1.0993	4.2125	1.8117	4.3076		1.7730	4.6669	4.9924
H8	2.0830	2.9830	1.0993	4.2125	1.8117	4.3076	1.7730		4.9924	4.6669
H9	2.9830	2.0830	4.2125	1.0993	4.3076	1.8117	4.6669	4.9924		1.7730
H10	2.9830	2.0830	4.2125	1.0993	4.3076	1.8117	4.9924	4.6669	1.7730

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	112.615	N1	C3	H5	111.990
N1	C3	H7	107.594	N1	C3	H8	107.594
N2	N1	C3	112.615	N2	C4	H6	111.990
N2	C4	H9	107.594	N2	C4	H10	107.594
H5	C3	H7	110.980	H5	C3	H8	110.980
H6	C4	H9	110.980	H6	C4	H10	110.980
H7	C3	H8	107.500	H9	C4	H10	107.500

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

using model chemistry: TPSSh/aug-cc-pVDZ

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	-0.397
2	N	-0.397
3	C	0.786
4	C	0.786
5	H	-0.152
6	H	-0.152
7	H	-0.119
8	H	-0.119
9	H	-0.119
10	H	-0.119

	x	y	z
x	6.446	-0.356	0.000
y	-0.356	9.782	0.000
z	0.000	0.000	5.383

<r²>	94.017
(<r²>)^1/2	9.696

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

using model chemistry: TPSSh/aug-cc-pVDZ

States and conformations

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