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	hartrees
Energy at 0K	-189.089061
Energy at 298.15K	-189.096467
HF Energy	-188.879602
Nuclear repulsion energy	119.719379

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3169	3018	0.00
2	A_g	3068	2922	0.00
3	A_g	1643	1564	0.00
4	A_g	1498	1427	0.00
5	A_g	1433	1365	0.00
6	A_g	1225	1167	0.00
7	A_g	941	896	0.00
8	A_g	599	570	0.00
9	A_u	3160	3010	21.84
10	A_u	1500	1428	18.87
11	A_u	1152	1097	2.26
12	A_u	292	278	7.59
13	A_u	153	146	1.86
14	B_g	3161	3010	0.00
15	B_g	1499	1428	0.00
16	B_g	1054	1004	0.00
17	B_g	216	206	0.00
18	B_u	3169	3018	31.30
19	B_u	3067	2921	51.20
20	B_u	1505	1433	29.32
21	B_u	1438	1369	1.55
22	B_u	1154	1099	1.54
23	B_u	1042	992	7.53
24	B_u	355	338	16.03

Atom	x (Å)	y (Å)	z (Å)
N1	0.373	0.500	0.000
N2	-0.373	-0.500	0.000
C3	-0.373	1.762	0.000
C4	0.373	-1.762	0.000
H5	-1.453	1.598	0.000
H6	1.453	-1.598	0.000
H7	-0.066	2.330	0.881
H8	-0.066	2.330	-0.881
H9	0.066	-2.330	0.881
H10	0.066	-2.330	-0.881

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2474	1.4658	2.2627	2.1301	2.3602	2.0776	2.0776	2.9799	2.9799
N2	1.2474		2.2627	1.4658	2.3602	2.1301	2.9799	2.9799	2.0776	2.0776
C3	1.4658	2.2627		3.6028	1.0925	3.8245	1.0919	1.0919	4.2090	4.2090
C4	2.2627	1.4658	3.6028		3.8245	1.0925	4.2090	4.2090	1.0919	1.0919
H5	2.1301	2.3602	1.0925	3.8245		4.3197	1.7982	1.7982	4.3028	4.3028
H6	2.3602	2.1301	3.8245	1.0925	4.3197		4.3028	4.3028	1.7982	1.7982
H7	2.0776	2.9799	1.0919	4.2090	1.7982	4.3028		1.7626	4.6615	4.9836
H8	2.0776	2.9799	1.0919	4.2090	1.7982	4.3028	1.7626		4.9836	4.6615
H9	2.9799	2.0776	4.2090	1.0919	4.3028	1.7982	4.6615	4.9836		1.7626
H10	2.9799	2.0776	4.2090	1.0919	4.3028	1.7982	4.9836	4.6615	1.7626

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	112.768	N1	C3	H5	111.915
N1	C3	H7	107.750	N1	C3	H8	107.750
N2	N1	C3	112.768	N2	C4	H6	111.915
N2	C4	H9	107.750	N2	C4	H10	107.750
H5	C3	H7	110.814	H5	C3	H8	110.814
H6	C4	H9	110.814	H6	C4	H10	110.814
H7	C3	H8	107.622	H9	C4	H10	107.622

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

using model chemistry: B2PLYP/6-31+G**

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	-0.100
2	N	-0.100
3	C	-0.360
4	C	-0.360
5	H	0.155
6	H	0.155
7	H	0.153
8	H	0.153
9	H	0.153
10	H	0.153

	x	y	z
x	5.730	-0.091	0.000
y	-0.091	8.714	0.000
z	0.000	0.000	4.843

<r²>	94.040
(<r²>)^1/2	9.697

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

using model chemistry: B2PLYP/6-31+G**

States and conformations

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