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	hartrees
Energy at 0K	-189.298763
Energy at 298.15K	-189.306168
HF Energy	-189.298763
Nuclear repulsion energy	119.577914

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3117	3031	0.00
2	A_g	3015	2932	0.00
3	A_g	1662	1616	0.00
4	A_g	1456	1416	0.00
5	A_g	1386	1348	0.00
6	A_g	1203	1170	0.00
7	A_g	913	888	0.00
8	A_g	583	567	0.00
9	A_u	3107	3021	29.89
10	A_u	1461	1421	11.60
11	A_u	1123	1092	1.80
12	A_u	286	278	5.59
13	A_u	170	166	2.90
14	B_g	3107	3021	0.00
15	B_g	1460	1419	0.00
16	B_g	1019	991	0.00
17	B_g	234	228	0.00
18	B_u	3116	3030	37.89
19	B_u	3013	2929	59.56
20	B_u	1463	1423	24.67
21	B_u	1390	1351	1.39
22	B_u	1119	1089	1.84
23	B_u	1016	988	11.65
24	B_u	341	331	13.57

Atom	x (Å)	y (Å)	z (Å)
N1	0.376	0.497	0.000
N2	-0.376	-0.497	0.000
C3	-0.376	1.757	0.000
C4	0.376	-1.757	0.000
H5	-1.466	1.590	0.000
H6	1.466	-1.590	0.000
H7	-0.067	2.333	0.887
H8	-0.067	2.333	-0.887
H9	0.067	-2.333	0.887
H10	0.067	-2.333	-0.887

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2463	1.4675	2.2533	2.1422	2.3540	2.0871	2.0871	2.9816	2.9816
N2	1.2463		2.2533	1.4675	2.3540	2.1422	2.9816	2.9816	2.0871	2.0871
C3	1.4675	2.2533		3.5927	1.1025	3.8199	1.1022	1.1022	4.2082	4.2082
C4	2.2533	1.4675	3.5927		3.8199	1.1025	4.2082	4.2082	1.1022	1.1022
H5	2.1422	2.3540	1.1025	3.8199		4.3251	1.8155	1.8155	4.3043	4.3043
H6	2.3540	2.1422	3.8199	1.1025	4.3251		4.3043	4.3043	1.8155	1.8155
H7	2.0871	2.9816	1.1022	4.2082	1.8155	4.3043		1.7743	4.6681	4.9939
H8	2.0871	2.9816	1.1022	4.2082	1.8155	4.3043	1.7743		4.9939	4.6681
H9	2.9816	2.0871	4.2082	1.1022	4.3043	1.8155	4.6681	4.9939		1.7743
H10	2.9816	2.0871	4.2082	1.1022	4.3043	1.8155	4.9939	4.6681	1.7743

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	112.002	N1	C3	H5	112.154
N1	C3	H7	107.777	N1	C3	H8	107.777
N2	N1	C3	112.002	N2	C4	H6	112.154
N2	C4	H9	107.777	N2	C4	H10	107.777
H5	C3	H7	110.864	H5	C3	H8	110.864
H6	C4	H9	110.864	H6	C4	H10	110.864
H7	C3	H8	107.199	H9	C4	H10	107.199

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

using model chemistry: TPSSh/cc-pVDZ

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	-0.175
2	N	-0.175
3	C	0.054
4	C	0.054
5	H	0.026
6	H	0.026
7	H	0.047
8	H	0.047
9	H	0.047
10	H	0.047

	x	y	z
x	4.949	-0.401	0.000
y	-0.401	8.670	0.000
z	0.000	0.000	4.192

<r²>	93.439
(<r²>)^1/2	9.666

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

using model chemistry: TPSSh/cc-pVDZ

States and conformations

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