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	hartrees
Energy at 0K	-186.836757
Energy at 298.15K	-186.843800
HF Energy	-186.836757
Nuclear repulsion energy	115.770058

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3495	3093	0.00
2	A_g	3302	2922	0.00
3	A_g	1652	1462	0.00
4	A_g	1582	1400	0.00
5	A_g	1506	1332	0.00
6	A_g	1236	1094	0.00
7	A_g	949	840	0.00
8	A_g	575	509	0.00
9	A_u	3481	3081	0.04
10	A_u	1639	1450	13.10
11	A_u	1164	1030	0.50
12	A_u	283	251	5.59
13	A_u	144	128	1.11
14	B_g	3481	3080	0.00
15	B_g	1638	1450	0.00
16	B_g	1065	942	0.00
17	B_g	190	168	0.00
18	B_u	3494	3092	1.62
19	B_u	3301	2921	0.82
20	B_u	1643	1454	14.31
21	B_u	1512	1338	4.51
22	B_u	1152	1019	2.01
23	B_u	1043	923	8.97
24	B_u	343	304	9.01

Atom	x (Å)	y (Å)	z (Å)
N1	0.421	0.510	0.000
N2	-0.421	-0.510	0.000
C3	-0.421	1.799	0.000
C4	0.421	-1.799	0.000
H5	-1.504	1.591	0.000
H6	1.504	-1.591	0.000
H7	-0.144	2.382	0.895
H8	-0.144	2.382	-0.895
H9	0.144	-2.382	0.895
H10	0.144	-2.382	-0.895

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.3227	1.5398	2.3083	2.2084	2.3634	2.1507	2.1507	3.0397	3.0397
N2	1.3227		2.3083	1.5398	2.3634	2.2084	3.0397	3.0397	2.1507	2.1507
C3	1.5398	2.3083		3.6945	1.1027	3.8983	1.1036	1.1036	4.3125	4.3125
C4	2.3083	1.5398	3.6945		3.8983	1.1027	4.3125	4.3125	1.1036	1.1036
H5	2.2084	2.3634	1.1027	3.8983		4.3790	1.8102	1.8102	4.3934	4.3934
H6	2.3634	2.2084	3.8983	1.1027	4.3790		4.3934	4.3934	1.8102	1.8102
H7	2.1507	3.0397	1.1036	4.3125	1.8102	4.3934		1.7897	4.7727	5.0972
H8	2.1507	3.0397	1.1036	4.3125	1.8102	4.3934	1.7897		5.0972	4.7727
H9	3.0397	2.1507	4.3125	1.1036	4.3934	1.8102	4.7727	5.0972		1.7897
H10	3.0397	2.1507	4.3125	1.1036	4.3934	1.8102	5.0972	4.7727	1.7897

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	107.248	N1	C3	H5	112.321
N1	C3	H7	107.756	N1	C3	H8	107.756
N2	N1	C3	107.248	N2	C4	H6	112.321
N2	C4	H9	107.756	N2	C4	H10	107.756
H5	C3	H7	110.262	H5	C3	H8	110.262
H6	C4	H9	110.262	H6	C4	H10	110.262
H7	C3	H8	108.352	H9	C4	H10	108.352

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

using model chemistry: B3PW91/STO-3G

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	-0.109
2	N	-0.109
3	C	-0.177
4	C	-0.177
5	H	0.096
6	H	0.096
7	H	0.095
8	H	0.095
9	H	0.095
10	H	0.095

	x	y	z
x	2.173	-0.142	0.000
y	-0.142	5.218	0.000
z	0.000	0.000	2.000

<r²>	96.646
(<r²>)^1/2	9.831

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

using model chemistry: B3PW91/STO-3G

States and conformations

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