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	hartrees
Energy at 0K	-186.578692
Energy at 298.15K	-186.585721
HF Energy	-186.489842
Nuclear repulsion energy	115.300369

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3519	3519	0.00
2	A_g	3327	3327	0.00
3	A_g	1672	1672	0.00
4	A_g	1557	1557	0.00
5	A_g	1469	1469	0.00
6	A_g	1240	1240	0.00
7	A_g	955	955	0.00
8	A_g	576	576	0.00
9	A_u	3510	3510	0.14
10	A_u	1666	1666	9.24
11	A_u	1175	1175	0.04
12	A_u	282	282	4.83
13	A_u	137	137	0.80
14	B_g	3509	3509	0.00
15	B_g	1666	1666	0.00
16	B_g	1082	1082	0.00
17	B_g	180	180	0.00
18	B_u	3519	3519	1.04
19	B_u	3327	3327	0.06
20	B_u	1670	1670	8.96
21	B_u	1537	1537	6.95
22	B_u	1164	1164	1.44
23	B_u	1054	1054	7.14
24	B_u	346	346	7.78

Atom	x (Å)	y (Å)	z (Å)
N1	0.426	0.515	0.000
N2	-0.426	-0.515	0.000
C3	-0.426	1.804	0.000
C4	0.426	-1.804	0.000
H5	-1.507	1.585	0.000
H6	1.507	-1.585	0.000
H7	-0.156	2.389	0.896
H8	-0.156	2.389	-0.896
H9	0.156	-2.389	0.896
H10	0.156	-2.389	-0.896

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.3361	1.5459	2.3189	2.2099	2.3617	2.1574	2.1574	3.0505	3.0505
N2	1.3361		2.3189	1.5459	2.3617	2.2099	3.0505	3.0505	2.1574	2.1574
C3	1.5459	2.3189		3.7080	1.1030	3.9021	1.1034	1.1034	4.3272	4.3272
C4	2.3189	1.5459	3.7080		3.9021	1.1030	4.3272	4.3272	1.1034	1.1034
H5	2.2099	2.3617	1.1030	3.9021		4.3746	1.8097	1.8097	4.4001	4.4001
H6	2.3617	2.2099	3.9021	1.1030	4.3746		4.4001	4.4001	1.8097	1.8097
H7	2.1574	3.0505	1.1034	4.3272	1.8097	4.4001		1.7919	4.7879	5.1123
H8	2.1574	3.0505	1.1034	4.3272	1.8097	4.4001	1.7919		5.1123	4.7879
H9	3.0505	2.1574	4.3272	1.1034	4.4001	1.8097	4.7879	5.1123		1.7919
H10	3.0505	2.1574	4.3272	1.1034	4.4001	1.8097	5.1123	4.7879	1.7919

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	106.915	N1	C3	H5	111.995
N1	C3	H7	107.871	N1	C3	H8	107.871
N2	N1	C3	106.915	N2	C4	H6	111.995
N2	C4	H9	107.871	N2	C4	H10	107.871
H5	C3	H7	110.210	H5	C3	H8	110.210
H6	C4	H9	110.210	H6	C4	H10	110.210
H7	C3	H8	108.576	H9	C4	H10	108.576

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

using model chemistry: B2PLYP/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	-0.105
2	N	-0.105
3	C	-0.148
4	C	-0.148
5	H	0.086
6	H	0.086
7	H	0.084
8	H	0.084
9	H	0.084
10	H	0.084

	x	y	z
x	2.167	-0.144	0.000
y	-0.144	5.078	0.000
z	0.000	0.000	2.014

<r²>	97.350
(<r²>)^1/2	9.867

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

using model chemistry: B2PLYP/STO-3G

States and conformations

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