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	hartrees
Energy at 0K	-187.986628
Energy at 298.15K	-187.994019
HF Energy	-187.986628
Nuclear repulsion energy	118.433947

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3161	3035	0.00
2	A_g	3062	2940	0.00
3	A_g	1558	1496	0.00
4	A_g	1490	1431	0.00
5	A_g	1411	1356	0.00
6	A_g	1197	1149	0.00
7	A_g	876	841	0.00
8	A_g	592	569	0.00
9	A_u	3148	3023	19.82
10	A_u	1539	1478	22.00
11	A_u	1145	1099	0.24
12	A_u	285	274	8.90
13	A_u	168	162	4.49
14	B_g	3148	3023	0.00
15	B_g	1537	1476	0.00
16	B_g	1045	1004	0.00
17	B_g	227	218	0.00
18	B_u	3160	3035	21.84
19	B_u	3060	2939	26.17
20	B_u	1538	1477	32.17
21	B_u	1431	1374	9.93
22	B_u	1153	1108	1.29
23	B_u	974	936	3.46
24	B_u	341	328	18.06

Atom	x (Å)	y (Å)	z (Å)
N1	0.387	0.504	0.000
N2	-0.387	-0.504	0.000
C3	-0.387	1.777	0.000
C4	0.387	-1.777	0.000
H5	-1.465	1.590	0.000
H6	1.465	-1.590	0.000
H7	-0.088	2.346	0.887
H8	-0.088	2.346	-0.887
H9	0.088	-2.346	0.887
H10	0.088	-2.346	-0.887

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2701	1.4898	2.2810	2.1470	2.3555	2.0990	2.0990	2.9996	2.9996
N2	1.2701		2.2810	1.4898	2.3555	2.1470	2.9996	2.9996	2.0990	2.0990
C3	1.4898	2.2810		3.6376	1.0946	3.8431	1.0950	1.0950	4.2443	4.2443
C4	2.2810	1.4898	3.6376		3.8431	1.0946	4.2443	4.2443	1.0950	1.0950
H5	2.1470	2.3555	1.0946	3.8431		4.3247	1.8038	1.8038	4.3237	4.3237
H6	2.3555	2.1470	3.8431	1.0946	4.3247		4.3237	4.3237	1.8038	1.8038
H7	2.0990	2.9996	1.0950	4.2443	1.8038	4.3237		1.7733	4.6957	5.0194
H8	2.0990	2.9996	1.0950	4.2443	1.8038	4.3237	1.7733		5.0194	4.6957
H9	2.9996	2.0990	4.2443	1.0950	4.3237	1.8038	4.6957	5.0194		1.7733
H10	2.9996	2.0990	4.2443	1.0950	4.3237	1.8038	5.0194	4.6957	1.7733

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	111.232	N1	C3	H5	111.433
N1	C3	H7	107.614	N1	C3	H8	107.614
N2	N1	C3	111.232	N2	C4	H6	111.433
N2	C4	H9	107.614	N2	C4	H10	107.614
H5	C3	H7	110.941	H5	C3	H8	110.941
H6	C4	H9	110.941	H6	C4	H10	110.941
H7	C3	H8	108.141	H9	C4	H10	108.141

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

using model chemistry: PBE1PBE/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	-0.223
2	N	-0.223
3	C	-0.490
4	C	-0.490
5	H	0.228
6	H	0.228
7	H	0.242
8	H	0.242
9	H	0.242
10	H	0.242

	x	y	z
x	4.091	-0.184	0.000
y	-0.184	7.677	0.000
z	0.000	0.000	3.630

<r²>	94.706
(<r²>)^1/2	9.732

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

using model chemistry: PBE1PBE/3-21G

States and conformations

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