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	hartrees
Energy at 0K	-189.046253
Energy at 298.15K	-189.053595
HF Energy	-189.046253
Nuclear repulsion energy	119.353754

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3053	3022	0.00
2	A_g	2954	2923	0.00
3	A_g	1595	1579	0.00
4	A_g	1414	1400	0.00
5	A_g	1345	1331	0.00
6	A_g	1169	1157	0.00
7	A_g	891	882	0.00
8	A_g	580	574	0.00
9	A_u	3042	3010	18.94
10	A_u	1420	1405	11.96
11	A_u	1093	1082	0.29
12	A_u	282	279	6.25
13	A_u	168	166	3.13
14	B_g	3042	3011	0.00
15	B_g	1419	1404	0.00
16	B_g	992	982	0.00
17	B_g	230	228	0.00
18	B_u	3052	3021	32.35
19	B_u	2952	2922	46.46
20	B_u	1423	1408	24.42
21	B_u	1350	1336	1.88
22	B_u	1092	1081	1.07
23	B_u	993	983	13.37
24	B_u	339	336	15.24

Atom	x (Å)	y (Å)	z (Å)
N1	0.378	0.500	0.000
N2	-0.378	-0.500	0.000
C3	-0.378	1.758	0.000
C4	0.378	-1.758	0.000
H5	-1.469	1.598	0.000
H6	1.469	-1.598	0.000
H7	-0.070	2.340	0.885
H8	-0.070	2.340	-0.885
H9	0.070	-2.340	0.885
H10	0.070	-2.340	-0.885

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2527	1.4672	2.2576	2.1488	2.3650	2.0904	2.0904	2.9904	2.9904
N2	1.2527		2.2576	1.4672	2.3650	2.1488	2.9904	2.9904	2.0904	2.0904
C3	1.4672	2.2576		3.5958	1.1034	3.8306	1.1035	1.1035	4.2160	4.2160
C4	2.2576	1.4672	3.5958		3.8306	1.1034	4.2160	4.2160	1.1035	1.1035
H5	2.1488	2.3650	1.1034	3.8306		4.3419	1.8148	1.8148	4.3197	4.3197
H6	2.3650	2.1488	3.8306	1.1034	4.3419		4.3197	4.3197	1.8148	1.8148
H7	2.0904	2.9904	1.1035	4.2160	1.8148	4.3197		1.7708	4.6818	5.0055
H8	2.0904	2.9904	1.1035	4.2160	1.8148	4.3197	1.7708		5.0055	4.6818
H9	2.9904	2.0904	4.2160	1.1035	4.3197	1.8148	4.6818	5.0055		1.7708
H10	2.9904	2.0904	4.2160	1.1035	4.3197	1.8148	5.0055	4.6818	1.7708

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	111.961	N1	C3	H5	112.653
N1	C3	H7	107.976	N1	C3	H8	107.976
N2	N1	C3	111.961	N2	C4	H6	112.653
N2	C4	H9	107.976	N2	C4	H10	107.976
H5	C3	H7	110.642	H5	C3	H8	110.642
H6	C4	H9	110.642	H6	C4	H10	110.642
H7	C3	H8	106.721	H9	C4	H10	106.721

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

using model chemistry: PBEPBE/6-31G(2df,p)

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	-0.104
2	N	-0.104
3	C	-0.318
4	C	-0.318
5	H	0.130
6	H	0.130
7	H	0.146
8	H	0.146
9	H	0.146
10	H	0.146

	x	y	z
x	4.962	-0.387	0.000
y	-0.387	8.755	0.000
z	0.000	0.000	4.357

<r²>	93.655
(<r²>)^1/2	9.678

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

using model chemistry: PBEPBE/6-31G(2df,p)

States and conformations

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