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	hartrees
Energy at 0K	-186.814094
Energy at 298.15K	-186.821162
HF Energy	-186.814094
Nuclear repulsion energy	116.254501

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3514	3103	0.00
2	A_g	3320	2932	0.00
3	A_g	1660	1465	0.00
4	A_g	1605	1418	0.00
5	A_g	1516	1339	0.00
6	A_g	1245	1100	0.00
7	A_g	957	845	0.00
8	A_g	578	510	0.00
9	A_u	3500	3091	0.19
10	A_u	1641	1449	13.18
11	A_u	1167	1031	0.42
12	A_u	286	252	5.57
13	A_u	147	130	1.12
14	B_g	3500	3090	0.00
15	B_g	1640	1448	0.00
16	B_g	1068	943	0.00
17	B_g	194	172	0.00
18	B_u	3513	3102	1.54
19	B_u	3319	2931	1.05
20	B_u	1645	1453	14.13
21	B_u	1516	1339	4.59
22	B_u	1157	1022	1.86
23	B_u	1059	935	7.89
24	B_u	344	304	9.15

Atom	x (Å)	y (Å)	z (Å)
N1	0.419	0.507	0.000
N2	-0.419	-0.507	0.000
C3	-0.419	1.791	0.000
C4	0.419	-1.791	0.000
H5	-1.499	1.582	0.000
H6	1.499	-1.582	0.000
H7	-0.143	2.374	0.893
H8	-0.143	2.374	-0.893
H9	0.143	-2.374	0.893
H10	0.143	-2.374	-0.893

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.3153	1.5327	2.2984	2.1981	2.3520	2.1439	2.1439	3.0288	3.0288
N2	1.3153		2.2984	1.5327	2.3520	2.1981	3.0288	3.0288	2.1439	2.1439
C3	1.5327	2.2984		3.6788	1.1003	3.8800	1.1012	1.1012	4.2964	4.2964
C4	2.2984	1.5327	3.6788		3.8800	1.1003	4.2964	4.2964	1.1012	1.1012
H5	2.1981	2.3520	1.1003	3.8800		4.3586	1.8063	1.8063	4.3750	4.3750
H6	2.3520	2.1981	3.8800	1.1003	4.3586		4.3750	4.3750	1.8063	1.8063
H7	2.1439	3.0288	1.1012	4.2964	1.8063	4.3750		1.7856	4.7562	5.0803
H8	2.1439	3.0288	1.1012	4.2964	1.8063	4.3750	1.7856		5.0803	4.7562
H9	3.0288	2.1439	4.2964	1.1012	4.3750	1.8063	4.7562	5.0803		1.7856
H10	3.0288	2.1439	4.2964	1.1012	4.3750	1.8063	5.0803	4.7562	1.7856

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	107.363	N1	C3	H5	112.152
N1	C3	H7	107.847	N1	C3	H8	107.847
N2	N1	C3	107.363	N2	C4	H6	112.152
N2	C4	H9	107.847	N2	C4	H10	107.847
H5	C3	H7	110.265	H5	C3	H8	110.265
H6	C4	H9	110.265	H6	C4	H10	110.265
H7	C3	H8	108.340	H9	C4	H10	108.340

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

using model chemistry: B1B95/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	-0.112
2	N	-0.112
3	C	-0.174
4	C	-0.174
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	2.160	-0.124	0.000
y	-0.124	5.170	0.000
z	0.000	0.000	2.000

<r²>	95.985
(<r²>)^1/2	9.797

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

using model chemistry: B1B95/STO-3G

States and conformations

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