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	hartrees
Energy at 0K	-189.271653
Energy at 298.15K	-189.278960
HF Energy	-189.271653
Nuclear repulsion energy	119.054172

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3020	3011	0.00
2	A_g	2940	2931	0.00
3	A_g	1561	1556	0.00
4	A_g	1432	1427	0.00
5	A_g	1358	1354	0.00
6	A_g	1158	1154	0.00
7	A_g	874	871	0.00
8	A_g	572	570	0.00
9	A_u	3009	3000	26.00
10	A_u	1435	1431	12.66
11	A_u	1100	1097	1.54
12	A_u	279	278	5.78
13	A_u	157	156	2.16
14	B_g	3010	3001	0.00
15	B_g	1435	1430	0.00
16	B_g	1005	1002	0.00
17	B_g	218	217	0.00
18	B_u	3020	3011	40.91
19	B_u	2938	2929	59.79
20	B_u	1440	1435	30.01
21	B_u	1367	1363	1.88
22	B_u	1102	1098	1.75
23	B_u	949	946	11.55
24	B_u	339	338	15.24

Atom	x (Å)	y (Å)	z (Å)
N1	0.373	0.500	0.000
N2	-0.373	-0.500	0.000
C3	-0.373	1.774	0.000
C4	0.373	-1.774	0.000
H5	-1.461	1.623	0.000
H6	1.461	-1.623	0.000
H7	-0.061	2.347	0.883
H8	-0.061	2.347	-0.883
H9	0.061	-2.347	0.883
H10	0.061	-2.347	-0.883

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2480	1.4770	2.2742	2.1509	2.3851	2.0925	2.0925	2.9967	2.9967
N2	1.2480		2.2742	1.4770	2.3851	2.1509	2.9967	2.9967	2.0925	2.0925
C3	1.4770	2.2742		3.6263	1.0982	3.8607	1.0979	1.0979	4.2367	4.2367
C4	2.2742	1.4770	3.6263		3.8607	1.0982	4.2367	4.2367	1.0979	1.0979
H5	2.1509	2.3851	1.0982	3.8607		4.3672	1.8070	1.8070	4.3418	4.3418
H6	2.3851	2.1509	3.8607	1.0982	4.3672		4.3418	4.3418	1.8070	1.8070
H7	2.0925	2.9967	1.0979	4.2367	1.8070	4.3418		1.7666	4.6947	5.0161
H8	2.0925	2.9967	1.0979	4.2367	1.8070	4.3418	1.7666		5.0161	4.6947
H9	2.9967	2.0925	4.2367	1.0979	4.3418	1.8070	4.6947	5.0161		1.7666
H10	2.9967	2.0925	4.2367	1.0979	4.3418	1.8070	5.0161	4.6947	1.7666

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	112.870	N1	C3	H5	112.440
N1	C3	H7	107.801	N1	C3	H8	107.801
N2	N1	C3	112.870	N2	C4	H6	112.440
N2	C4	H9	107.801	N2	C4	H10	107.801
H5	C3	H7	110.733	H5	C3	H8	110.733
H6	C4	H9	110.733	H6	C4	H10	110.733
H7	C3	H8	107.120	H9	C4	H10	107.120

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

using model chemistry: BLYP/cc-pVTZ

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	-0.098
2	N	-0.098
3	C	-0.134
4	C	-0.134
5	H	0.058
6	H	0.058
7	H	0.087
8	H	0.087
9	H	0.087
10	H	0.087

	x	y	z
x	5.865	-0.515	0.000
y	-0.515	9.690	0.000
z	0.000	0.000	4.921

<r²>	95.023
(<r²>)^1/2	9.748

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

using model chemistry: BLYP/cc-pVTZ

States and conformations

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