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	hartrees
Energy at 0K	-189.205384
Energy at 298.15K	-189.212777
HF Energy	-189.205384
Nuclear repulsion energy	118.523150

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3141	3022	0.00
2	A_g	3044	2928	0.00
3	A_g	1603	1542	0.00
4	A_g	1509	1452	0.00
5	A_g	1440	1385	0.00
6	A_g	1209	1163	0.00
7	A_g	904	870	0.00
8	A_g	585	563	0.00
9	A_u	3133	3014	29.50
10	A_u	1518	1460	19.69
11	A_u	1161	1117	0.00
12	A_u	287	276	9.48
13	A_u	164	158	3.66
14	B_g	3133	3014	0.00
15	B_g	1517	1459	0.00
16	B_g	1065	1024	0.00
17	B_g	227	219	0.00
18	B_u	3141	3021	36.92
19	B_u	3042	2926	46.64
20	B_u	1520	1462	30.88
21	B_u	1450	1395	4.26
22	B_u	1164	1120	0.57
23	B_u	1000	962	5.05
24	B_u	339	326	16.62

Atom	x (Å)	y (Å)	z (Å)
N1	0.373	0.509	0.000
N2	-0.373	-0.509	0.000
C3	-0.373	1.787	0.000
C4	0.373	-1.787	0.000
H5	-1.457	1.633	0.000
H6	1.457	-1.633	0.000
H7	-0.065	2.355	0.884
H8	-0.065	2.355	-0.884
H9	0.065	-2.355	0.884
H10	0.065	-2.355	-0.884

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2625	1.4794	2.2966	2.1471	2.4009	2.0927	2.0927	3.0136	3.0136
N2	1.2625		2.2966	1.4794	2.4009	2.1471	3.0136	3.0136	2.0927	2.0927
C3	1.4794	2.2966		3.6514	1.0952	3.8788	1.0948	1.0948	4.2582	4.2582
C4	2.2966	1.4794	3.6514		3.8788	1.0952	4.2582	4.2582	1.0948	1.0948
H5	2.1471	2.4009	1.0952	3.8788		4.3767	1.8004	1.8004	4.3590	4.3590
H6	2.4009	2.1471	3.8788	1.0952	4.3767		4.3590	4.3590	1.8004	1.8004
H7	2.0927	3.0136	1.0948	4.2582	1.8004	4.3590		1.7679	4.7120	5.0327
H8	2.0927	3.0136	1.0948	4.2582	1.8004	4.3590	1.7679		5.0327	4.7120
H9	3.0136	2.0927	4.2582	1.0948	4.3590	1.8004	4.7120	5.0327		1.7679
H10	3.0136	2.0927	4.2582	1.0948	4.3590	1.8004	5.0327	4.7120	1.7679

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	113.540	N1	C3	H5	112.155
N1	C3	H7	107.834	N1	C3	H8	107.834
N2	N1	C3	113.540	N2	C4	H6	112.155
N2	C4	H9	107.834	N2	C4	H10	107.834
H5	C3	H7	110.585	H5	C3	H8	110.585
H6	C4	H9	110.585	H6	C4	H10	110.585
H7	C3	H8	107.682	H9	C4	H10	107.682

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

using model chemistry: B3LYP/6-31G

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	-0.199
2	N	-0.199
3	C	-0.289
4	C	-0.289
5	H	0.153
6	H	0.153
7	H	0.167
8	H	0.167
9	H	0.167
10	H	0.167

	x	y	z
x	4.472	-0.167	0.000
y	-0.167	8.117	0.000
z	0.000	0.000	3.869

<r²>	95.434
(<r²>)^1/2	9.769

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

using model chemistry: B3LYP/6-31G

States and conformations

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