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	hartrees
Energy at 0K	-187.937532
Energy at 298.15K	-187.944847
HF Energy	-187.796323
Nuclear repulsion energy	117.538649

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3166	3166	0.00
2	A_g	3075	3075	0.00
3	A_g	1567	1567	0.00
4	A_g	1469	1469	0.00
5	A_g	1352	1352	0.00
6	A_g	1185	1185	0.00
7	A_g	852	852	0.00
8	A_g	578	578	0.00
9	A_u	3156	3156	27.39
10	A_u	1566	1566	15.65
11	A_u	1153	1153	0.02
12	A_u	279	279	7.94
13	A_u	159	159	3.33
14	B_g	3156	3156	0.00
15	B_g	1564	1564	0.00
16	B_g	1055	1055	0.00
17	B_g	213	213	0.00
18	B_u	3165	3165	25.19
19	B_u	3074	3074	29.00
20	B_u	1563	1563	22.09
21	B_u	1449	1449	4.93
22	B_u	1159	1159	0.39
23	B_u	936	936	1.79
24	B_u	339	339	16.01

Atom	x (Å)	y (Å)	z (Å)
N1	0.394	0.509	0.000
N2	-0.394	-0.509	0.000
C3	-0.394	1.793	0.000
C4	0.394	-1.793	0.000
H5	-1.468	1.597	0.000
H6	1.468	-1.597	0.000
H7	-0.099	2.359	0.887
H8	-0.099	2.359	-0.887
H9	0.099	-2.359	0.887
H10	0.099	-2.359	-0.887

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2864	1.5065	2.3022	2.1557	2.3636	2.1098	2.1098	3.0159	3.0159
N2	1.2864		2.3022	1.5065	2.3636	2.1557	3.0159	3.0159	2.1098	2.1098
C3	1.5065	2.3022		3.6721	1.0919	3.8673	1.0922	1.0922	4.2742	4.2742
C4	2.3022	1.5065	3.6721		3.8673	1.0919	4.2742	4.2742	1.0922	1.0922
H5	2.1557	2.3636	1.0919	3.8673		4.3373	1.7999	1.7999	4.3458	4.3458
H6	2.3636	2.1557	3.8673	1.0919	4.3373		4.3458	4.3458	1.7999	1.7999
H7	2.1098	3.0159	1.0922	4.2742	1.7999	4.3458		1.7738	4.7215	5.0437
H8	2.1098	3.0159	1.0922	4.2742	1.7999	4.3458	1.7738		5.0437	4.7215
H9	3.0159	2.1098	4.2742	1.0922	4.3458	1.7999	4.7215	5.0437		1.7738
H10	3.0159	2.1098	4.2742	1.0922	4.3458	1.7999	5.0437	4.7215	1.7738

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	110.786	N1	C3	H5	111.116
N1	C3	H7	107.492	N1	C3	H8	107.492
N2	N1	C3	110.786	N2	C4	H6	111.116
N2	C4	H9	107.492	N2	C4	H10	107.492
H5	C3	H7	110.997	H5	C3	H8	110.997
H6	C4	H9	110.997	H6	C4	H10	110.997
H7	C3	H8	108.598	H9	C4	H10	108.598

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

using model chemistry: B2PLYP/3-21G*

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	-0.213
2	N	-0.213
3	C	-0.416
4	C	-0.416
5	H	0.202
6	H	0.202
7	H	0.213
8	H	0.213
9	H	0.213
10	H	0.213

	x	y	z
x	4.045	-0.200	0.000
y	-0.200	7.522	0.000
z	0.000	0.000	3.618

<r²>	96.096
(<r²>)^1/2	9.803

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

using model chemistry: B2PLYP/3-21G*

States and conformations

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