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	hartrees
Energy at 0K	-189.270553
Energy at 298.15K	-189.277980
HF Energy	-189.270553
Nuclear repulsion energy	120.498290

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3115	2995	0.00
2	A_g	3022	2906	0.00
3	A_g	1688	1624	0.00
4	A_g	1463	1406	0.00
5	A_g	1398	1345	0.00
6	A_g	1213	1166	0.00
7	A_g	928	893	0.00
8	A_g	599	576	0.00
9	A_u	3103	2984	20.64
10	A_u	1464	1408	15.83
11	A_u	1131	1087	0.82
12	A_u	292	281	6.48
13	A_u	161	154	2.22
14	B_g	3104	2984	0.00
15	B_g	1464	1408	0.00
16	B_g	1033	993	0.00
17	B_g	226	217	0.00
18	B_u	3114	2995	33.27
19	B_u	3021	2905	48.93
20	B_u	1469	1413	32.93
21	B_u	1402	1348	2.63
22	B_u	1132	1088	1.42
23	B_u	1036	996	10.57
24	B_u	351	337	15.89

Atom	x (Å)	y (Å)	z (Å)
N1	0.367	0.494	0.000
N2	-0.367	-0.494	0.000
C3	-0.367	1.751	0.000
C4	0.367	-1.751	0.000
H5	-1.449	1.599	0.000
H6	1.449	-1.599	0.000
H7	-0.058	2.322	0.878
H8	-0.058	2.322	-0.878
H9	0.058	-2.322	0.878
H10	0.058	-2.322	-0.878

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2309	1.4551	2.2446	2.1255	2.3561	2.0721	2.0721	2.9660	2.9660
N2	1.2309		2.2446	1.4551	2.3561	2.1255	2.9660	2.9660	2.0721	2.0721
C3	1.4551	2.2446		3.5771	1.0924	3.8100	1.0923	1.0923	4.1878	4.1878
C4	2.2446	1.4551	3.5771		3.8100	1.0924	4.1878	4.1878	1.0923	1.0923
H5	2.1255	2.3561	1.0924	3.8100		4.3154	1.7965	1.7965	4.2915	4.2915
H6	2.3561	2.1255	3.8100	1.0924	4.3154		4.2915	4.2915	1.7965	1.7965
H7	2.0721	2.9660	1.0923	4.1878	1.7965	4.2915		1.7564	4.6455	4.9665
H8	2.0721	2.9660	1.0923	4.1878	1.7965	4.2915	1.7564		4.9665	4.6455
H9	2.9660	2.0721	4.1878	1.0923	4.2915	1.7965	4.6455	4.9665		1.7564
H10	2.9660	2.0721	4.1878	1.0923	4.2915	1.7965	4.9665	4.6455	1.7564

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	113.110	N1	C3	H5	112.317
N1	C3	H7	108.015	N1	C3	H8	108.015
N2	N1	C3	113.110	N2	C4	H6	112.317
N2	C4	H9	108.015	N2	C4	H10	108.015
H5	C3	H7	110.637	H5	C3	H8	110.637
H6	C4	H9	110.637	H6	C4	H10	110.637
H7	C3	H8	107.020	H9	C4	H10	107.020

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

using model chemistry: B3PW91/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	-0.110
2	N	-0.110
3	C	-0.124
4	C	-0.124
5	H	0.061
6	H	0.061
7	H	0.086
8	H	0.086
9	H	0.086
10	H	0.086

	x	y	z
x	5.524	-0.330	0.000
y	-0.330	8.987	0.000
z	0.000	0.000	4.726

<r²>	92.735
(<r²>)^1/2	9.630

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

using model chemistry: B3PW91/cc-pVTZ

States and conformations

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