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	hartrees
Energy at 0K	-189.206904
Energy at 298.15K	-189.214210
HF Energy	-189.206904
Nuclear repulsion energy	118.750909

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3031	3014	0.00
2	A_g	2943	2927	0.00
3	A_g	1563	1555	0.00
4	A_g	1428	1420	0.00
5	A_g	1359	1351	0.00
6	A_g	1162	1156	0.00
7	A_g	875	870	0.00
8	A_g	571	568	0.00
9	A_u	3016	2999	28.88
10	A_u	1434	1426	9.38
11	A_u	1102	1096	0.77
12	A_u	279	277	5.87
13	A_u	162	161	2.57
14	B_g	3016	2999	0.00
15	B_g	1433	1425	0.00
16	B_g	1002	997	0.00
17	B_g	223	222	0.00
18	B_u	3030	3014	40.94
19	B_u	2941	2925	52.31
20	B_u	1436	1429	19.98
21	B_u	1365	1358	1.31
22	B_u	1101	1095	0.84
23	B_u	954	949	10.78
24	B_u	338	336	14.35

Atom	x (Å)	y (Å)	z (Å)
N1	0.379	0.501	0.000
N2	-0.379	-0.501	0.000
C3	-0.379	1.772	0.000
C4	0.379	-1.772	0.000
H5	-1.470	1.616	0.000
H6	1.470	-1.616	0.000
H7	-0.069	2.351	0.886
H8	-0.069	2.351	-0.886
H9	0.069	-2.351	0.886
H10	0.069	-2.351	-0.886

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2561	1.4798	2.2734	2.1587	2.3817	2.0997	2.0997	3.0026	3.0026
N2	1.2561		2.2734	1.4798	2.3817	2.1587	3.0026	3.0026	2.0997	2.0997
C3	1.4798	2.2734		3.6247	1.1022	3.8597	1.1027	1.1027	4.2413	4.2413
C4	2.2734	1.4798	3.6247		3.8597	1.1022	4.2413	4.2413	1.1027	1.1027
H5	2.1587	2.3817	1.1022	3.8597		4.3688	1.8129	1.8129	4.3465	4.3465
H6	2.3817	2.1587	3.8597	1.1022	4.3688		4.3465	4.3465	1.8129	1.8129
H7	2.0997	3.0026	1.1027	4.2413	1.8129	4.3465		1.7723	4.7043	5.0270
H8	2.0997	3.0026	1.1027	4.2413	1.8129	4.3465	1.7723		5.0270	4.7043
H9	3.0026	2.0997	4.2413	1.1027	4.3465	1.8129	4.7043	5.0270		1.7723
H10	3.0026	2.0997	4.2413	1.1027	4.3465	1.8129	5.0270	4.7043	1.7723

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	112.132	N1	C3	H5	112.633
N1	C3	H7	107.902	N1	C3	H8	107.902
N2	N1	C3	112.132	N2	C4	H6	112.633
N2	C4	H9	107.902	N2	C4	H10	107.902
H5	C3	H7	110.612	H5	C3	H8	110.612
H6	C4	H9	110.612	H6	C4	H10	110.612
H7	C3	H8	106.959	H9	C4	H10	106.959

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

using model chemistry: BLYP/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	-0.089
2	N	-0.089
3	C	-0.259
4	C	-0.259
5	H	0.106
6	H	0.106
7	H	0.121
8	H	0.121
9	H	0.121
10	H	0.121

	x	y	z
x	4.946	-0.396	0.000
y	-0.396	8.790	0.000
z	0.000	0.000	4.350

<r²>	94.746
(<r²>)^1/2	9.734

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

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

States and conformations

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