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	hartrees
Energy at 0K	-189.114074
Energy at 298.15K	-189.121528
HF Energy	-189.114074
Nuclear repulsion energy	120.727160

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3128	3006	0.00
2	A_g	3033	2915	0.00
3	A_g	1714	1648	0.00
4	A_g	1464	1406	0.00
5	A_g	1401	1346	0.00
6	A_g	1222	1174	0.00
7	A_g	939	902	0.00
8	A_g	606	582	0.00
9	A_u	3117	2995	19.18
10	A_u	1465	1408	16.61
11	A_u	1133	1089	0.80
12	A_u	295	283	6.34
13	A_u	163	157	2.27
14	B_g	3117	2996	0.00
15	B_g	1465	1407	0.00
16	B_g	1035	995	0.00
17	B_g	229	220	0.00
18	B_u	3128	3006	30.77
19	B_u	3032	2914	46.33
20	B_u	1470	1413	33.81
21	B_u	1404	1349	3.13
22	B_u	1135	1090	1.50
23	B_u	1055	1014	10.54
24	B_u	353	339	15.99

Atom	x (Å)	y (Å)	z (Å)
N1	0.366	0.493	0.000
N2	-0.366	-0.493	0.000
C3	-0.366	1.746	0.000
C4	0.366	-1.746	0.000
H5	-1.448	1.592	0.000
H6	1.448	-1.592	0.000
H7	-0.058	2.318	0.878
H8	-0.058	2.318	-0.878
H9	0.058	-2.318	0.878
H10	0.058	-2.318	-0.878

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2284	1.4515	2.2387	2.1214	2.3487	2.0694	2.0694	2.9609	2.9609
N2	1.2284		2.2387	1.4515	2.3487	2.1214	2.9609	2.9609	2.0694	2.0694
C3	1.4515	2.2387		3.5676	1.0926	3.7990	1.0925	1.0925	4.1792	4.1792
C4	2.2387	1.4515	3.5676		3.7990	1.0926	4.1792	4.1792	1.0925	1.0925
H5	2.1214	2.3487	1.0926	3.7990		4.3040	1.7971	1.7971	4.2811	4.2811
H6	2.3487	2.1214	3.7990	1.0926	4.3040		4.2811	4.2811	1.7971	1.7971
H7	2.0694	2.9609	1.0925	4.1792	1.7971	4.2811		1.7564	4.6374	4.9589
H8	2.0694	2.9609	1.0925	4.1792	1.7971	4.2811	1.7564		4.9589	4.6374
H9	2.9609	2.0694	4.1792	1.0925	4.2811	1.7971	4.6374	4.9589		1.7564
H10	2.9609	2.0694	4.1792	1.0925	4.2811	1.7971	4.9589	4.6374	1.7564

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	113.048	N1	C3	H5	112.226
N1	C3	H7	108.044	N1	C3	H8	108.044
N2	N1	C3	113.048	N2	C4	H6	112.226
N2	C4	H9	108.044	N2	C4	H10	108.044
H5	C3	H7	110.665	H5	C3	H8	110.665
H6	C4	H9	110.665	H6	C4	H10	110.665
H7	C3	H8	107.001	H9	C4	H10	107.001

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

using model chemistry: PBE1PBE/cc-pVTZ

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	-0.100
2	N	-0.100
3	C	-0.160
4	C	-0.160
5	H	0.069
6	H	0.069
7	H	0.096
8	H	0.096
9	H	0.096
10	H	0.096

	x	y	z
x	5.508	-0.318	0.000
y	-0.318	8.934	0.000
z	0.000	0.000	4.723

<r²>	92.434
(<r²>)^1/2	9.614

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

using model chemistry: PBE1PBE/cc-pVTZ

States and conformations

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