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	hartrees
Energy at 0K	-189.292071
Energy at 298.15K	-189.299475
HF Energy	-189.292071
Nuclear repulsion energy	119.604530

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3129	3000	0.00
2	A_g	3033	2908	0.00
3	A_g	1658	1589	0.00
4	A_g	1494	1433	0.00
5	A_g	1419	1361	0.00
6	A_g	1214	1164	0.00
7	A_g	917	879	0.00
8	A_g	583	559	0.00
9	A_u	3119	2990	36.63
10	A_u	1500	1438	10.72
11	A_u	1139	1092	0.91
12	A_u	287	275	6.88
13	A_u	170	163	3.01
14	B_g	3119	2990	0.00
15	B_g	1499	1437	0.00
16	B_g	1033	991	0.00
17	B_g	234	224	0.00
18	B_u	3129	3000	44.37
19	B_u	3031	2906	54.35
20	B_u	1503	1441	20.71
21	B_u	1422	1363	1.40
22	B_u	1142	1095	0.62
23	B_u	1011	969	8.68
24	B_u	342	327	14.24

Atom	x (Å)	y (Å)	z (Å)
N1	0.377	0.498	0.000
N2	-0.377	-0.498	0.000
C3	-0.377	1.759	0.000
C4	0.377	-1.759	0.000
H5	-1.460	1.595	0.000
H6	1.460	-1.595	0.000
H7	-0.072	2.331	0.882
H8	-0.072	2.331	-0.882
H9	0.072	-2.331	0.882
H10	0.072	-2.331	-0.882

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2488	1.4695	2.2564	2.1398	2.3562	2.0836	2.0836	2.9787	2.9787
N2	1.2488		2.2564	1.4695	2.3562	2.1398	2.9787	2.9787	2.0836	2.0836
C3	1.4695	2.2564		3.5976	1.0949	3.8240	1.0950	1.0950	4.2079	4.2079
C4	2.2564	1.4695	3.5976		3.8240	1.0949	4.2079	4.2079	1.0950	1.0950
H5	2.1398	2.3562	1.0949	3.8240		4.3245	1.8016	1.8016	4.3057	4.3057
H6	2.3562	2.1398	3.8240	1.0949	4.3245		4.3057	4.3057	1.8016	1.8016
H7	2.0836	2.9787	1.0950	4.2079	1.8016	4.3057		1.7646	4.6642	4.9868
H8	2.0836	2.9787	1.0950	4.2079	1.8016	4.3057	1.7646		4.9868	4.6642
H9	2.9787	2.0836	4.2079	1.0950	4.3057	1.8016	4.6642	4.9868		1.7646
H10	2.9787	2.0836	4.2079	1.0950	4.3057	1.8016	4.9868	4.6642	1.7646

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	111.957	N1	C3	H5	112.289
N1	C3	H7	107.782	N1	C3	H8	107.782
N2	N1	C3	111.957	N2	C4	H6	112.289
N2	C4	H9	107.782	N2	C4	H10	107.782
H5	C3	H7	110.712	H5	C3	H8	110.712
H6	C4	H9	110.712	H6	C4	H10	110.712
H7	C3	H8	107.369	H9	C4	H10	107.369

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

using model chemistry: TPSSh/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	-0.197
2	N	-0.197
3	C	-0.220
4	C	-0.220
5	H	0.131
6	H	0.131
7	H	0.143
8	H	0.143
9	H	0.143
10	H	0.143

	x	y	z
x	4.680	-0.225	0.000
y	-0.225	8.260	0.000
z	0.000	0.000	4.096

<r²>	93.381
(<r²>)^1/2	9.663

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

using model chemistry: TPSSh/6-31G**

States and conformations

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