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	hartrees
Energy at 0K	-189.034532
Energy at 298.15K	-189.041873
HF Energy	-189.034532
Nuclear repulsion energy	119.131359

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3062	3011	0.00
2	A_g	2967	2918	0.00
3	A_g	1603	1576	0.00
4	A_g	1446	1422	0.00
5	A_g	1370	1348	0.00
6	A_g	1179	1160	0.00
7	A_g	900	885	0.00
8	A_g	581	571	0.00
9	A_u	3053	3003	24.22
10	A_u	1450	1426	14.21
11	A_u	1105	1087	0.10
12	A_u	283	278	6.49
13	A_u	168	166	4.02
14	B_g	3053	3003	0.00
15	B_g	1449	1425	0.00
16	B_g	1004	987	0.00
17	B_g	231	227	0.00
18	B_u	3061	3011	37.05
19	B_u	2965	2916	49.20
20	B_u	1455	1431	25.63
21	B_u	1376	1354	2.23
22	B_u	1111	1092	0.63
23	B_u	995	978	12.16
24	B_u	342	336	14.57

Atom	x (Å)	y (Å)	z (Å)
N1	0.379	0.501	0.000
N2	-0.379	-0.501	0.000
C3	-0.379	1.761	0.000
C4	0.379	-1.761	0.000
H5	-1.472	1.601	0.000
H6	1.472	-1.601	0.000
H7	-0.071	2.341	0.888
H8	-0.071	2.341	-0.888
H9	0.071	-2.341	0.888
H10	0.071	-2.341	-0.888

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2570	1.4698	2.2620	2.1533	2.3697	2.0916	2.0916	2.9937	2.9937
N2	1.2570		2.2620	1.4698	2.3697	2.1533	2.9937	2.9937	2.0916	2.0916
C3	1.4698	2.2620		3.6019	1.1048	3.8378	1.1044	1.1044	4.2207	4.2207
C4	2.2620	1.4698	3.6019		3.8378	1.1048	4.2207	4.2207	1.1044	1.1044
H5	2.1533	2.3697	1.1048	3.8378		4.3502	1.8164	1.8164	4.3255	4.3255
H6	2.3697	2.1533	3.8378	1.1048	4.3502		4.3255	4.3255	1.8164	1.8164
H7	2.0916	2.9937	1.1044	4.2207	1.8164	4.3255		1.7752	4.6844	5.0095
H8	2.0916	2.9937	1.1044	4.2207	1.8164	4.3255	1.7752		5.0095	4.6844
H9	2.9937	2.0916	4.2207	1.1044	4.3255	1.8164	4.6844	5.0095		1.7752
H10	2.9937	2.0916	4.2207	1.1044	4.3255	1.8164	5.0095	4.6844	1.7752

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	111.866	N1	C3	H5	112.745
N1	C3	H7	107.843	N1	C3	H8	107.843
N2	N1	C3	111.866	N2	C4	H6	112.745
N2	C4	H9	107.843	N2	C4	H10	107.843
H5	C3	H7	110.609	H5	C3	H8	110.609
H6	C4	H9	110.609	H6	C4	H10	110.609
H7	C3	H8	106.966	H9	C4	H10	106.966

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

using model chemistry: PBEPBEultrafine/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	-0.165
2	N	-0.165
3	C	-0.362
4	C	-0.362
5	H	0.167
6	H	0.167
7	H	0.180
8	H	0.180
9	H	0.180
10	H	0.180

	x	y	z
x	4.737	-0.318	0.000
y	-0.318	8.477	0.000
z	0.000	0.000	4.091

<r²>	93.932
(<r²>)^1/2	9.692

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

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

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