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	hartrees
Energy at 0K	-188.215702
Energy at 298.15K	-188.223043
HF Energy	-188.215702
Nuclear repulsion energy	117.896422

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3135	3016	0.00
2	A_g	3046	2931	0.00
3	A_g	1552	1493	0.00
4	A_g	1475	1419	0.00
5	A_g	1395	1342	0.00
6	A_g	1182	1137	0.00
7	A_g	855	823	0.00
8	A_g	580	558	0.00
9	A_u	3121	3002	27.57
10	A_u	1543	1485	17.63
11	A_u	1141	1097	0.02
12	A_u	280	270	7.97
13	A_u	167	161	3.93
14	B_g	3121	3002	0.00
15	B_g	1541	1483	0.00
16	B_g	1042	1002	0.00
17	B_g	225	216	0.00
18	B_u	3134	3015	28.81
19	B_u	3045	2929	32.20
20	B_u	1542	1484	26.00
21	B_u	1431	1376	5.10
22	B_u	1149	1105	0.66
23	B_u	935	899	3.11
24	B_u	339	326	16.65

Atom	x (Å)	y (Å)	z (Å)
N1	0.389	0.505	0.000
N2	-0.389	-0.505	0.000
C3	-0.389	1.789	0.000
C4	0.389	-1.789	0.000
H5	-1.467	1.605	0.000
H6	1.467	-1.605	0.000
H7	-0.089	2.356	0.887
H8	-0.089	2.356	-0.887
H9	0.089	-2.356	0.887
H10	0.089	-2.356	-0.887

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2743	1.5010	2.2941	2.1567	2.3690	2.1075	2.1075	3.0104	3.0104
N2	1.2743		2.2941	1.5010	2.3690	2.1567	3.0104	3.0104	2.1075	2.1075
C3	1.5010	2.2941		3.6617	1.0939	3.8677	1.0945	1.0945	4.2660	4.2660
C4	2.2941	1.5010	3.6617		3.8677	1.0939	4.2660	4.2660	1.0945	1.0945
H5	2.1567	2.3690	1.0939	3.8677		4.3478	1.8029	1.8029	4.3467	4.3467
H6	2.3690	2.1567	3.8677	1.0939	4.3478		4.3467	4.3467	1.8029	1.8029
H7	2.1075	3.0104	1.0945	4.2660	1.8029	4.3467		1.7737	4.7158	5.0383
H8	2.1075	3.0104	1.0945	4.2660	1.8029	4.3467	1.7737		5.0383	4.7158
H9	3.0104	2.1075	4.2660	1.0945	4.3467	1.8029	4.7158	5.0383		1.7737
H10	3.0104	2.1075	4.2660	1.0945	4.3467	1.8029	5.0383	4.7158	1.7737

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	111.237	N1	C3	H5	111.467
N1	C3	H7	107.546	N1	C3	H8	107.546
N2	N1	C3	111.237	N2	C4	H6	111.467
N2	C4	H9	107.546	N2	C4	H10	107.546
H5	C3	H7	110.941	H5	C3	H8	110.941
H6	C4	H9	110.941	H6	C4	H10	110.941
H7	C3	H8	108.241	H9	C4	H10	108.241

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

using model chemistry: B3LYP/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	-0.213
2	N	-0.213
3	C	-0.421
4	C	-0.421
5	H	0.203
6	H	0.203
7	H	0.216
8	H	0.216
9	H	0.216
10	H	0.216

	x	y	z
x	4.109	-0.231	0.000
y	-0.231	7.783	0.000
z	0.000	0.000	3.635

<r²>	95.608
(<r²>)^1/2	9.778

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

using model chemistry: B3LYP/3-21G*

States and conformations

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