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	hartrees
Energy at 0K	-188.002557
Energy at 298.15K	-188.009948
HF Energy	-188.002557
Nuclear repulsion energy	118.484106

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3160	3044	0.00
2	A_g	3062	2949	0.00
3	A_g	1559	1502	0.00
4	A_g	1492	1437	0.00
5	A_g	1412	1360	0.00
6	A_g	1197	1153	0.00
7	A_g	875	843	0.00
8	A_g	592	570	0.00
9	A_u	3147	3031	20.25
10	A_u	1540	1483	21.95
11	A_u	1146	1104	0.25
12	A_u	285	274	8.84
13	A_u	168	161	4.48
14	B_g	3147	3031	0.00
15	B_g	1538	1481	0.00
16	B_g	1046	1008	0.00
17	B_g	227	219	0.00
18	B_u	3159	3043	22.80
19	B_u	3060	2948	26.92
20	B_u	1539	1482	32.17
21	B_u	1432	1380	9.68
22	B_u	1154	1112	1.27
23	B_u	972	937	3.45
24	B_u	342	329	18.05

Atom	x (Å)	y (Å)	z (Å)
N1	0.386	0.504	0.000
N2	-0.386	-0.504	0.000
C3	-0.386	1.777	0.000
C4	0.386	-1.777	0.000
H5	-1.464	1.592	0.000
H6	1.464	-1.592	0.000
H7	-0.087	2.346	0.886
H8	-0.087	2.346	-0.886
H9	0.087	-2.346	0.886
H10	0.087	-2.346	-0.886

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2689	1.4889	2.2807	2.1462	2.3565	2.0983	2.0983	2.9992	2.9992
N2	1.2689		2.2807	1.4889	2.3565	2.1462	2.9992	2.9992	2.0983	2.0983
C3	1.4889	2.2807		3.6368	1.0943	3.8432	1.0947	1.0947	4.2436	4.2436
C4	2.2807	1.4889	3.6368		3.8432	1.0943	4.2436	4.2436	1.0947	1.0947
H5	2.1462	2.3565	1.0943	3.8432		4.3254	1.8031	1.8031	4.3239	4.3239
H6	2.3565	2.1462	3.8432	1.0943	4.3254		4.3239	4.3239	1.8031	1.8031
H7	2.0983	2.9992	1.0947	4.2436	1.8031	4.3239		1.7724	4.6952	5.0186
H8	2.0983	2.9992	1.0947	4.2436	1.8031	4.3239	1.7724		5.0186	4.6952
H9	2.9992	2.0983	4.2436	1.0947	4.3239	1.8031	4.6952	5.0186		1.7724
H10	2.9992	2.0983	4.2436	1.0947	4.3239	1.8031	5.0186	4.6952	1.7724

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	111.335	N1	C3	H5	111.459
N1	C3	H7	107.642	N1	C3	H8	107.642
N2	N1	C3	111.335	N2	C4	H6	111.459
N2	C4	H9	107.642	N2	C4	H10	107.642
H5	C3	H7	110.917	H5	C3	H8	110.917
H6	C4	H9	110.917	H6	C4	H10	110.917
H7	C3	H8	108.107	H9	C4	H10	108.107

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

using model chemistry: HSEh1PBE/3-21G

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	-0.222
2	N	-0.222
3	C	-0.485
4	C	-0.485
5	H	0.226
6	H	0.226
7	H	0.240
8	H	0.240
9	H	0.240
10	H	0.240

	x	y	z
x	4.086	-0.189	0.000
y	-0.189	7.675	0.000
z	0.000	0.000	3.625

<r²>	94.668
(<r²>)^1/2	9.730

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

using model chemistry: HSEh1PBE/3-21G

States and conformations

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