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	hartrees
Energy at 0K	-189.215355
Energy at 298.15K	-189.222774
HF Energy	-189.215355
Nuclear repulsion energy	120.230831

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3130	3009	0.00
2	A_g	3029	2912	0.00
3	A_g	1692	1627	0.00
4	A_g	1462	1406	0.00
5	A_g	1400	1346	0.00
6	A_g	1216	1169	0.00
7	A_g	929	893	0.00
8	A_g	597	574	0.00
9	A_u	3116	2995	22.04
10	A_u	1467	1410	12.84
11	A_u	1133	1089	0.40
12	A_u	291	280	6.67
13	A_u	164	158	2.57
14	B_g	3116	2996	0.00
15	B_g	1466	1409	0.00
16	B_g	1031	992	0.00
17	B_g	229	220	0.00
18	B_u	3129	3008	32.39
19	B_u	3027	2911	45.21
20	B_u	1469	1413	24.73
21	B_u	1402	1348	1.64
22	B_u	1132	1088	0.83
23	B_u	1038	998	10.22
24	B_u	349	336	15.46

Atom	x (Å)	y (Å)	z (Å)
N1	0.371	0.495	0.000
N2	-0.371	-0.495	0.000
C3	-0.371	1.750	0.000
C4	0.371	-1.750	0.000
H5	-1.455	1.594	0.000
H6	1.455	-1.594	0.000
H7	-0.065	2.326	0.880
H8	-0.065	2.326	-0.880
H9	0.065	-2.326	0.880
H10	0.065	-2.326	-0.880

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2373	1.4580	2.2450	2.1316	2.3539	2.0777	2.0777	2.9707	2.9707
N2	1.2373		2.2450	1.4580	2.3539	2.1316	2.9707	2.9707	2.0777	2.0777
C3	1.4580	2.2450		3.5778	1.0951	3.8105	1.0955	1.0955	4.1924	4.1924
C4	2.2450	1.4580	3.5778		3.8105	1.0951	4.1924	4.1924	1.0955	1.0955
H5	2.1316	2.3539	1.0951	3.8105		4.3172	1.8005	1.8005	4.2958	4.2958
H6	2.3539	2.1316	3.8105	1.0951	4.3172		4.2958	4.2958	1.8005	1.8005
H7	2.0777	2.9707	1.0955	4.1924	1.8005	4.2958		1.7607	4.6532	4.9752
H8	2.0777	2.9707	1.0955	4.1924	1.8005	4.2958	1.7607		4.9752	4.6532
H9	2.9707	2.0777	4.1924	1.0955	4.2958	1.8005	4.6532	4.9752		1.7607
H10	2.9707	2.0777	4.1924	1.0955	4.2958	1.8005	4.9752	4.6532	1.7607

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	112.542	N1	C3	H5	112.434
N1	C3	H7	108.070	N1	C3	H8	108.070
N2	N1	C3	112.542	N2	C4	H6	112.434
N2	C4	H9	108.070	N2	C4	H10	108.070
H5	C3	H7	110.555	H5	C3	H8	110.555
H6	C4	H9	110.555	H6	C4	H10	110.555
H7	C3	H8	106.955	H9	C4	H10	106.955

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

using model chemistry: B3PW91/6-31G(2df,p)

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	-0.118
2	N	-0.118
3	C	-0.341
4	C	-0.341
5	H	0.144
6	H	0.144
7	H	0.157
8	H	0.157
9	H	0.157
10	H	0.157

	x	y	z
x	4.799	-0.259	0.000
y	-0.259	8.313	0.000
z	0.000	0.000	4.276

<r²>	92.621
(<r²>)^1/2	9.624

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

using model chemistry: B3PW91/6-31G(2df,p)

States and conformations

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