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	hartrees
Energy at 0K	-188.990136
Energy at 298.15K	-188.997576
HF Energy	-188.990136
Nuclear repulsion energy	119.144235

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3171	3033	0.00
2	A_g	3063	2930	0.00
3	A_g	1645	1574	0.00
4	A_g	1512	1446	0.00
5	A_g	1448	1385	0.00
6	A_g	1225	1172	0.00
7	A_g	927	886	0.00
8	A_g	596	570	0.00
9	A_u	3164	3027	22.24
10	A_u	1519	1453	23.61
11	A_u	1166	1116	0.05
12	A_u	292	279	10.28
13	A_u	168	161	4.08
14	B_g	3164	3027	0.00
15	B_g	1518	1452	0.00
16	B_g	1069	1023	0.00
17	B_g	233	223	0.00
18	B_u	3170	3033	31.06
19	B_u	3062	2929	41.90
20	B_u	1521	1455	36.51
21	B_u	1454	1391	8.79
22	B_u	1170	1119	0.92
23	B_u	1039	994	5.74
24	B_u	342	327	17.42

Atom	x (Å)	y (Å)	z (Å)
N1	0.370	0.508	0.000
N2	-0.370	-0.508	0.000
C3	-0.370	1.775	0.000
C4	0.370	-1.775	0.000
H5	-1.454	1.620	0.000
H6	1.454	-1.620	0.000
H7	-0.063	2.344	0.883
H8	-0.063	2.344	-0.883
H9	0.063	-2.344	0.883
H10	0.063	-2.344	-0.883

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2563	1.4679	2.2829	2.1364	2.3879	2.0834	2.0834	3.0011	3.0011
N2	1.2563		2.2829	1.4679	2.3879	2.1364	3.0011	3.0011	2.0834	2.0834
C3	1.4679	2.2829		3.6268	1.0947	3.8543	1.0940	1.0940	4.2353	4.2353
C4	2.2829	1.4679	3.6268		3.8543	1.0947	4.2353	4.2353	1.0940	1.0940
H5	2.1364	2.3879	1.0947	3.8543		4.3536	1.7989	1.7989	4.3357	4.3357
H6	2.3879	2.1364	3.8543	1.0947	4.3536		4.3357	4.3357	1.7989	1.7989
H7	2.0834	3.0011	1.0940	4.2353	1.7989	4.3357		1.7651	4.6904	5.0115
H8	2.0834	3.0011	1.0940	4.2353	1.7989	4.3357	1.7651		5.0115	4.6904
H9	3.0011	2.0834	4.2353	1.0940	4.3357	1.7989	4.6904	5.0115		1.7651
H10	3.0011	2.0834	4.2353	1.0940	4.3357	1.7989	5.0115	4.6904	1.7651

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	113.630	N1	C3	H5	112.137
N1	C3	H7	107.933	N1	C3	H8	107.933
N2	N1	C3	113.630	N2	C4	H6	112.137
N2	C4	H9	107.933	N2	C4	H10	107.933
H5	C3	H7	110.559	H5	C3	H8	110.559
H6	C4	H9	110.559	H6	C4	H10	110.559
H7	C3	H8	107.555	H9	C4	H10	107.555

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

using model chemistry: HSEh1PBE/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	-0.205
2	N	-0.205
3	C	-0.364
4	C	-0.364
5	H	0.180
6	H	0.180
7	H	0.195
8	H	0.195
9	H	0.195
10	H	0.195

	x	y	z
x	4.459	-0.124	0.000
y	-0.124	8.007	0.000
z	0.000	0.000	3.859

<r²>	94.471
(<r²>)^1/2	9.720

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

using model chemistry: HSEh1PBE/6-31G

States and conformations

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