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	hartrees
Energy at 0K	-188.113326
Energy at 298.15K	-188.120869
HF Energy	-188.113326
Nuclear repulsion energy	118.237415

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3164	2997	0.00
2	A_g	3073	2911	0.00
3	A_g	1583	1499	0.00
4	A_g	1522	1442	0.00
5	A_g	1434	1358	0.00
6	A_g	1204	1141	0.00
7	A_g	883	837	0.00
8	A_g	594	563	0.00
9	A_u	3175	3008	15.36
10	A_u	1555	1473	19.91
11	A_u	1156	1095	0.00
12	A_u	292	276	6.24
13	A_u	234	222	6.29
14	B_g	3175	3008	0.00
15	B_g	1554	1472	0.00
16	B_g	1061	1005	0.00
17	B_g	260	246	0.00
18	B_u	3164	2997	11.48
19	B_u	3072	2909	21.40
20	B_u	1556	1473	28.01
21	B_u	1442	1366	8.25
22	B_u	1160	1098	0.39
23	B_u	984	932	1.88
24	B_u	339	321	16.72

Atom	x (Å)	y (Å)	z (Å)
N1	0.386	0.502	0.000
N2	-0.386	-0.502	0.000
C3	-0.386	1.786	0.000
C4	0.386	-1.786	0.000
H5	-1.462	1.595	0.000
H6	1.462	-1.595	0.000
H7	-0.087	2.351	0.887
H8	-0.087	2.351	-0.887
H9	0.087	-2.351	0.887
H10	0.087	-2.351	-0.887

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2670	1.4978	2.2881	2.1466	2.3572	2.1039	2.1039	3.0025	3.0025
N2	1.2670		2.2881	1.4978	2.3572	2.1466	3.0025	3.0025	2.1039	2.1039
C3	1.4978	2.2881		3.6541	1.0924	3.8528	1.0930	1.0930	4.2568	4.2568
C4	2.2881	1.4978	3.6541		3.8528	1.0924	4.2568	4.2568	1.0930	1.0930
H5	2.1466	2.3572	1.0924	3.8528		4.3270	1.8016	1.8016	4.3306	4.3306
H6	2.3572	2.1466	3.8528	1.0924	4.3270		4.3306	4.3306	1.8016	1.8016
H7	2.1039	3.0025	1.0930	4.2568	1.8016	4.3306		1.7737	4.7044	5.0276
H8	2.1039	3.0025	1.0930	4.2568	1.8016	4.3306	1.7737		5.0276	4.7044
H9	3.0025	2.1039	4.2568	1.0930	4.3306	1.8016	4.7044	5.0276		1.7737
H10	3.0025	2.1039	4.2568	1.0930	4.3306	1.8016	5.0276	4.7044	1.7737

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	111.433	N1	C3	H5	110.973
N1	C3	H7	107.575	N1	C3	H8	107.575
N2	N1	C3	111.433	N2	C4	H6	110.973
N2	C4	H9	107.575	N2	C4	H10	107.575
H5	C3	H7	111.054	H5	C3	H8	111.054
H6	C4	H9	111.054	H6	C4	H10	111.054
H7	C3	H8	108.464	H9	C4	H10	108.464

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

using model chemistry: M06-2X/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	-0.230
2	N	-0.230
3	C	-0.431
4	C	-0.431
5	H	0.212
6	H	0.212
7	H	0.224
8	H	0.224
9	H	0.224
10	H	0.224

	x	y	z
x	4.009	-0.138	0.000
y	-0.138	7.561	0.000
z	0.000	0.000	3.561

<r²>	95.220
(<r²>)^1/2	9.758

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

using model chemistry: M06-2X/3-21G*

States and conformations

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