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	hartrees
Energy at 0K	-188.271139
Energy at 298.15K	-188.278530
HF Energy	-188.271139
Nuclear repulsion energy	120.514984

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3056	3022	0.00
2	A_g	2946	2913	0.00
3	A_g	1661	1642	0.00
4	A_g	1364	1348	0.00
5	A_g	1308	1293	0.00
6	A_g	1184	1170	0.00
7	A_g	923	912	0.00
8	A_g	597	591	0.00
9	A_u	3050	3015	3.49
10	A_u	1362	1346	23.61
11	A_u	1070	1058	0.22
12	A_u	287	284	7.79
13	A_u	167	165	3.59
14	B_g	3050	3016	0.00
15	B_g	1362	1346	0.00
16	B_g	976	965	0.00
17	B_g	235	233	0.00
18	B_u	3055	3021	22.23
19	B_u	2945	2911	39.54
20	B_u	1373	1357	41.27
21	B_u	1314	1300	17.29
22	B_u	1077	1064	11.86
23	B_u	1071	1059	11.17
24	B_u	347	343	20.04

Atom	x (Å)	y (Å)	z (Å)
N1	0.366	0.501	0.000
N2	-0.366	-0.501	0.000
C3	-0.366	1.738	0.000
C4	0.366	-1.738	0.000
H5	-1.464	1.572	0.000
H6	1.464	-1.572	0.000
H7	-0.053	2.324	0.887
H8	-0.053	2.324	-0.887
H9	0.053	-2.324	0.887
H10	0.053	-2.324	-0.887

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2415	1.4378	2.2391	2.1206	2.3459	2.0700	2.0700	2.9775	2.9775
N2	1.2415		2.2391	1.4378	2.3459	2.1206	2.9775	2.9775	2.0700	2.0700
C3	1.4378	2.2391		3.5525	1.1097	3.7826	1.1083	1.1083	4.1787	4.1787
C4	2.2391	1.4378	3.5525		3.7826	1.1097	4.1787	4.1787	1.1083	1.1083
H5	2.1206	2.3459	1.1097	3.7826		4.2964	1.8282	1.8282	4.2740	4.2740
H6	2.3459	2.1206	3.7826	1.1097	4.2964		4.2740	4.2740	1.8282	1.8282
H7	2.0700	2.9775	1.1083	4.1787	1.8282	4.2740		1.7740	4.6490	4.9759
H8	2.0700	2.9775	1.1083	4.1787	1.8282	4.2740	1.7740		4.9759	4.6490
H9	2.9775	2.0700	4.1787	1.1083	4.2740	1.8282	4.6490	4.9759		1.7740
H10	2.9775	2.0700	4.1787	1.1083	4.2740	1.8282	4.9759	4.6490	1.7740

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	113.175	N1	C3	H5	112.063
N1	C3	H7	108.088	N1	C3	H8	108.088
N2	N1	C3	113.175	N2	C4	H6	112.063
N2	C4	H9	108.088	N2	C4	H10	108.088
H5	C3	H7	111.026	H5	C3	H8	111.026
H6	C4	H9	111.026	H6	C4	H10	111.026
H7	C3	H8	106.316	H9	C4	H10	106.316

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

using model chemistry: LSDA/aug-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	-0.284
2	N	-0.284
3	C	0.832
4	C	0.832
5	H	-0.216
6	H	-0.216
7	H	-0.166
8	H	-0.166
9	H	-0.166
10	H	-0.166

	x	y	z
x	6.890	-0.408	0.000
y	-0.408	10.285	0.000
z	0.000	0.000	5.654

<r²>	92.701
(<r²>)^1/2	9.628

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

using model chemistry: LSDA/aug-cc-pVDZ

States and conformations

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