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	hartrees
Energy at 0K	-188.921996
Energy at 298.15K	-188.929378
HF Energy	-188.780363
Nuclear repulsion energy	118.213967

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3165	3165	0.00
2	A_g	3065	3065	0.00
3	A_g	1564	1564	0.00
4	A_g	1514	1514	0.00
5	A_g	1448	1448	0.00
6	A_g	1215	1215	0.00
7	A_g	906	906	0.00
8	A_g	584	584	0.00
9	A_u	3161	3161	29.45
10	A_u	1538	1538	17.90
11	A_u	1171	1171	0.16
12	A_u	286	286	9.47
13	A_u	160	160	3.03
14	B_g	3161	3161	0.00
15	B_g	1537	1537	0.00
16	B_g	1076	1076	0.00
17	B_g	220	220	0.00
18	B_u	3165	3165	32.48
19	B_u	3064	3064	42.78
20	B_u	1540	1540	26.97
21	B_u	1467	1467	4.28
22	B_u	1173	1173	0.44
23	B_u	1002	1002	3.39
24	B_u	340	340	16.10

Atom	x (Å)	y (Å)	z (Å)
N1	0.377	0.513	0.000
N2	-0.377	-0.513	0.000
C3	-0.377	1.791	0.000
C4	0.377	-1.791	0.000
H5	-1.458	1.625	0.000
H6	1.458	-1.625	0.000
H7	-0.074	2.357	0.885
H8	-0.074	2.357	-0.885
H9	0.074	-2.357	0.885
H10	0.074	-2.357	-0.885

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2724	1.4838	2.3035	2.1459	2.3954	2.0945	2.0945	3.0181	3.0181
N2	1.2724		2.3035	1.4838	2.3954	2.1459	3.0181	3.0181	2.0945	2.0945
C3	1.4838	2.3035		3.6601	1.0944	3.8774	1.0935	1.0935	4.2648	4.2648
C4	2.3035	1.4838	3.6601		3.8774	1.0944	4.2648	4.2648	1.0935	1.0935
H5	2.1459	2.3954	1.0944	3.8774		4.3666	1.7993	1.7993	4.3569	4.3569
H6	2.3954	2.1459	3.8774	1.0944	4.3666		4.3569	4.3569	1.7993	1.7993
H7	2.0945	3.0181	1.0935	4.2648	1.7993	4.3569		1.7703	4.7158	5.0371
H8	2.0945	3.0181	1.0935	4.2648	1.7993	4.3569	1.7703		5.0371	4.7158
H9	3.0181	2.0945	4.2648	1.0935	4.3569	1.7993	4.7158	5.0371		1.7703
H10	3.0181	2.0945	4.2648	1.0935	4.3569	1.7993	5.0371	4.7158	1.7703

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	113.160	N1	C3	H5	111.788
N1	C3	H7	107.755	N1	C3	H8	107.755
N2	N1	C3	113.160	N2	C4	H6	111.788
N2	C4	H9	107.755	N2	C4	H10	107.755
H5	C3	H7	110.652	H5	C3	H8	110.652
H6	C4	H9	110.652	H6	C4	H10	110.652
H7	C3	H8	108.092	H9	C4	H10	108.092

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

using model chemistry: B2PLYP/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	-0.203
2	N	-0.203
3	C	-0.291
4	C	-0.291
5	H	0.157
6	H	0.157
7	H	0.168
8	H	0.168
9	H	0.168
10	H	0.168

	x	y	z
x	4.413	-0.135	0.000
y	-0.135	7.839	0.000
z	0.000	0.000	3.862

<r²>	95.888
(<r²>)^1/2	9.792

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

using model chemistry: B2PLYP/6-31G

States and conformations

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