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	hartrees
Energy at 0K	-186.870255
Energy at 298.15K	-186.877388
HF Energy	-186.870255
Nuclear repulsion energy	116.546518

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3549	3549	0.00
2	A_g	3361	3361	0.00
3	A_g	1698	1698	0.00
4	A_g	1645	1645	0.00
5	A_g	1543	1543	0.00
6	A_g	1261	1261	0.00
7	A_g	978	978	0.00
8	A_g	589	589	0.00
9	A_u	3540	3540	0.69
10	A_u	1658	1658	11.56
11	A_u	1182	1182	0.18
12	A_u	296	296	4.99
13	A_u	154	154	1.11
14	B_g	3540	3540	0.00
15	B_g	1658	1658	0.00
16	B_g	1087	1087	0.00
17	B_g	196	196	0.00
18	B_u	3548	3548	1.46
19	B_u	3360	3360	2.18
20	B_u	1659	1659	12.24
21	B_u	1537	1537	6.17
22	B_u	1173	1173	1.52
23	B_u	1080	1080	5.63
24	B_u	352	352	8.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.414	0.503	0.000
N2	-0.414	-0.503	0.000
C3	-0.414	1.791	0.000
C4	0.414	-1.791	0.000
H5	-1.493	1.583	0.000
H6	1.493	-1.583	0.000
H7	-0.138	2.371	0.892
H8	-0.138	2.371	-0.892
H9	0.138	-2.371	0.892
H10	0.138	-2.371	-0.892

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.3037	1.5313	2.2949	2.1919	2.3494	2.1422	2.1422	3.0226	3.0226
N2	1.3037		2.2949	1.5313	2.3494	2.1919	3.0226	3.0226	2.1422	2.1422
C3	1.5313	2.2949		3.6774	1.0989	3.8766	1.0996	1.0996	4.2928	4.2928
C4	2.2949	1.5313	3.6774		3.8766	1.0989	4.2928	4.2928	1.0996	1.0996
H5	2.1919	2.3494	1.0989	3.8766		4.3529	1.8041	1.8041	4.3698	4.3698
H6	2.3494	2.1919	3.8766	1.0989	4.3529		4.3698	4.3698	1.8041	1.8041
H7	2.1422	3.0226	1.0996	4.2928	1.8041	4.3698		1.7849	4.7503	5.0746
H8	2.1422	3.0226	1.0996	4.2928	1.8041	4.3698	1.7849		5.0746	4.7503
H9	3.0226	2.1422	4.2928	1.0996	4.3698	1.8041	4.7503	5.0746		1.7849
H10	3.0226	2.1422	4.2928	1.0996	4.3698	1.8041	5.0746	4.7503	1.7849

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	107.819	N1	C3	H5	111.830
N1	C3	H7	107.902	N1	C3	H8	107.902
N2	N1	C3	107.819	N2	C4	H6	111.830
N2	C4	H9	107.902	N2	C4	H10	107.902
H5	C3	H7	110.292	H5	C3	H8	110.292
H6	C4	H9	110.292	H6	C4	H10	110.292
H7	C3	H8	108.514	H9	C4	H10	108.514

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

using model chemistry: M06-2X/STO-3G

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	-0.114
2	N	-0.114
3	C	-0.155
4	C	-0.155
5	H	0.091
6	H	0.091
7	H	0.089
8	H	0.089
9	H	0.089
10	H	0.089

	x	y	z
x	2.135	-0.113	0.000
y	-0.113	5.190	0.000
z	0.000	0.000	1.977

<r²>	95.828
(<r²>)^1/2	9.789

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

using model chemistry: M06-2X/STO-3G

States and conformations

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