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	hartrees
Energy at 0K	-189.128589
Energy at 298.15K	-189.136012
HF Energy	-188.911781
Nuclear repulsion energy	119.926663

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3139	3139	0.00
2	A_g	3044	3044	0.00
3	A_g	1637	1637	0.00
4	A_g	1485	1485	0.00
5	A_g	1420	1420	0.00
6	A_g	1221	1221	0.00
7	A_g	936	936	0.00
8	A_g	599	599	0.00
9	A_u	3130	3130	30.38
10	A_u	1490	1490	15.86
11	A_u	1147	1147	2.42
12	A_u	291	291	5.78
13	A_u	156	156	2.21
14	B_g	3130	3130	0.00
15	B_g	1489	1489	0.00
16	B_g	1051	1051	0.00
17	B_g	221	221	0.00
18	B_u	3139	3139	33.90
19	B_u	3043	3043	49.85
20	B_u	1493	1493	29.92
21	B_u	1425	1425	2.95
22	B_u	1147	1147	2.03
23	B_u	1033	1033	8.38
24	B_u	354	354	13.68

Atom	x (Å)	y (Å)	z (Å)
N1	0.373	0.497	0.000
N2	-0.373	-0.497	0.000
C3	-0.373	1.758	0.000
C4	0.373	-1.758	0.000
H5	-1.453	1.588	0.000
H6	1.453	-1.588	0.000
H7	-0.069	2.327	0.881
H8	-0.069	2.327	-0.881
H9	0.069	-2.327	0.881
H10	0.069	-2.327	-0.881

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2428	1.4656	2.2542	2.1275	2.3475	2.0787	2.0787	2.9731	2.9731
N2	1.2428		2.2542	1.4656	2.3475	2.1275	2.9731	2.9731	2.0787	2.0787
C3	1.4656	2.2542		3.5936	1.0925	3.8116	1.0923	1.0923	4.2015	4.2015
C4	2.2542	1.4656	3.5936		3.8116	1.0925	4.2015	4.2015	1.0923	1.0923
H5	2.1275	2.3475	1.0925	3.8116		4.3046	1.7990	1.7990	4.2915	4.2915
H6	2.3475	2.1275	3.8116	1.0925	4.3046		4.2915	4.2915	1.7990	1.7990
H7	2.0787	2.9731	1.0923	4.2015	1.7990	4.2915		1.7626	4.6551	4.9776
H8	2.0787	2.9731	1.0923	4.2015	1.7990	4.2915	1.7626		4.9776	4.6551
H9	2.9731	2.0787	4.2015	1.0923	4.2915	1.7990	4.6551	4.9776		1.7626
H10	2.9731	2.0787	4.2015	1.0923	4.2915	1.7990	4.9776	4.6551	1.7626

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	112.413	N1	C3	H5	111.717
N1	C3	H7	107.830	N1	C3	H8	107.830
N2	N1	C3	112.413	N2	C4	H6	111.717
N2	C4	H9	107.830	N2	C4	H10	107.830
H5	C3	H7	110.858	H5	C3	H8	110.858
H6	C4	H9	110.858	H6	C4	H10	110.858
H7	C3	H8	107.579	H9	C4	H10	107.579

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

using model chemistry: B2PLYP/6-311G**

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	-0.154
2	N	-0.154
3	C	-0.178
4	C	-0.178
5	H	0.098
6	H	0.098
7	H	0.117
8	H	0.117
9	H	0.117
10	H	0.117

	x	y	z
x	5.084	-0.299	0.000
y	-0.299	8.447	0.000
z	0.000	0.000	4.329

<r²>	93.492
(<r²>)^1/2	9.669

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

using model chemistry: B2PLYP/6-311G**

States and conformations

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