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	hartrees
Energy at 0K	-189.151379
Energy at 298.15K	-189.158814
HF Energy	-189.151379
Nuclear repulsion energy	119.141216

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3177	3008	0.00
2	A_g	3070	2906	0.00
3	A_g	1646	1558	0.00
4	A_g	1517	1436	0.00
5	A_g	1453	1375	0.00
6	A_g	1228	1162	0.00
7	A_g	927	877	0.00
8	A_g	595	563	0.00
9	A_u	3172	3002	22.92
10	A_u	1524	1443	23.60
11	A_u	1170	1107	0.05
12	A_u	292	276	10.51
13	A_u	166	157	3.89
14	B_g	3172	3002	0.00
15	B_g	1523	1442	0.00
16	B_g	1073	1015	0.00
17	B_g	231	218	0.00
18	B_u	3177	3007	31.04
19	B_u	3069	2905	42.56
20	B_u	1526	1445	36.40
21	B_u	1460	1382	8.32
22	B_u	1173	1110	0.89
23	B_u	1037	982	5.57
24	B_u	341	323	17.38

Atom	x (Å)	y (Å)	z (Å)
N1	0.370	0.507	0.000
N2	-0.370	-0.507	0.000
C3	-0.370	1.776	0.000
C4	0.370	-1.776	0.000
H5	-1.452	1.622	0.000
H6	1.452	-1.622	0.000
H7	-0.063	2.344	0.882
H8	-0.063	2.344	-0.882
H9	0.063	-2.344	0.882
H10	0.063	-2.344	-0.882

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2562	1.4689	2.2837	2.1362	2.3884	2.0828	2.0828	3.0003	3.0003
N2	1.2562		2.2837	1.4689	2.3884	2.1362	3.0003	3.0003	2.0828	2.0828
C3	1.4689	2.2837		3.6287	1.0933	3.8557	1.0927	1.0927	4.2356	4.2356
C4	2.2837	1.4689	3.6287		3.8557	1.0933	4.2356	4.2356	1.0927	1.0927
H5	2.1362	2.3884	1.0933	3.8557		4.3540	1.7969	1.7969	4.3359	4.3359
H6	2.3884	2.1362	3.8557	1.0933	4.3540		4.3359	4.3359	1.7969	1.7969
H7	2.0828	3.0003	1.0927	4.2356	1.7969	4.3359		1.7637	4.6894	5.0101
H8	2.0828	3.0003	1.0927	4.2356	1.7969	4.3359	1.7637		5.0101	4.6894
H9	3.0003	2.0828	4.2356	1.0927	4.3359	1.7969	4.6894	5.0101		1.7637
H10	3.0003	2.0828	4.2356	1.0927	4.3359	1.7969	5.0101	4.6894	1.7637

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	113.632	N1	C3	H5	112.134
N1	C3	H7	107.894	N1	C3	H8	107.894
N2	N1	C3	113.632	N2	C4	H6	112.134
N2	C4	H9	107.894	N2	C4	H10	107.894
H5	C3	H7	110.567	H5	C3	H8	110.567
H6	C4	H9	110.567	H6	C4	H10	110.567
H7	C3	H8	107.619	H9	C4	H10	107.619

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

using model chemistry: mPW1PW91/6-31G

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	-0.208
2	N	-0.208
3	C	-0.365
4	C	-0.365
5	H	0.181
6	H	0.181
7	H	0.196
8	H	0.196
9	H	0.196
10	H	0.196

	x	y	z
x	4.436	-0.114	0.000
y	-0.114	7.966	0.000
z	0.000	0.000	3.842

<r²>	94.449
(<r²>)^1/2	9.718

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

using model chemistry: mPW1PW91/6-31G

States and conformations

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