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	hartrees
Energy at 0K	-189.176982
Energy at 298.15K	-189.184434
HF Energy	-189.176982
Nuclear repulsion energy	120.434794

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3168	3025	0.00
2	A_g	3069	2930	0.00
3	A_g	1731	1653	0.00
4	A_g	1500	1432	0.00
5	A_g	1432	1367	0.00
6	A_g	1235	1180	0.00
7	A_g	948	905	0.00
8	A_g	602	575	0.00
9	A_u	3157	3014	26.44
10	A_u	1501	1434	14.16
11	A_u	1148	1096	0.36
12	A_u	293	280	6.93
13	A_u	166	159	3.09
14	B_g	3157	3014	0.00
15	B_g	1500	1433	0.00
16	B_g	1047	1000	0.00
17	B_g	233	222	0.00
18	B_u	3167	3024	33.68
19	B_u	3068	2929	44.47
20	B_u	1507	1439	24.67
21	B_u	1433	1368	1.68
22	B_u	1154	1102	0.37
23	B_u	1057	1010	8.99
24	B_u	352	336	14.66

Atom	x (Å)	y (Å)	z (Å)
N1	0.372	0.494	0.000
N2	-0.372	-0.494	0.000
C3	-0.372	1.746	0.000
C4	0.372	-1.746	0.000
H5	-1.453	1.587	0.000
H6	1.453	-1.587	0.000
H7	-0.068	2.319	0.880
H8	-0.068	2.319	-0.880
H9	0.068	-2.319	0.880
H10	0.068	-2.319	-0.880

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2371	1.4556	2.2405	2.1267	2.3455	2.0729	2.0729	2.9637	2.9637
N2	1.2371		2.2405	1.4556	2.3455	2.1267	2.9637	2.9637	2.0729	2.0729
C3	1.4556	2.2405		3.5703	1.0932	3.7996	1.0932	1.0932	4.1825	4.1825
C4	2.2405	1.4556	3.5703		3.7996	1.0932	4.1825	4.1825	1.0932	1.0932
H5	2.1267	2.3455	1.0932	3.7996		4.3032	1.7971	1.7971	4.2830	4.2830
H6	2.3455	2.1267	3.7996	1.0932	4.3032		4.2830	4.2830	1.7971	1.7971
H7	2.0729	2.9637	1.0932	4.1825	1.7971	4.2830		1.7599	4.6404	4.9629
H8	2.0729	2.9637	1.0932	4.1825	1.7971	4.2830	1.7599		4.9629	4.6404
H9	2.9637	2.0729	4.1825	1.0932	4.2830	1.7971	4.6404	4.9629		1.7599
H10	2.9637	2.0729	4.1825	1.0932	4.2830	1.7971	4.9629	4.6404	1.7599

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	112.373	N1	C3	H5	112.325
N1	C3	H7	107.996	N1	C3	H8	107.996
N2	N1	C3	112.373	N2	C4	H6	112.325
N2	C4	H9	107.996	N2	C4	H10	107.996
H5	C3	H7	110.562	H5	C3	H8	110.562
H6	C4	H9	110.562	H6	C4	H10	110.562
H7	C3	H8	107.212	H9	C4	H10	107.212

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

using model chemistry: B1B95/6-31G**

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	-0.184
2	N	-0.184
3	C	-0.356
4	C	-0.356
5	H	0.174
6	H	0.174
7	H	0.183
8	H	0.183
9	H	0.183
10	H	0.183

	x	y	z
x	4.522	-0.154	0.000
y	-0.154	7.938	0.000
z	0.000	0.000	3.987

<r²>	92.330
(<r²>)^1/2	9.609

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

using model chemistry: B1B95/6-31G**

States and conformations

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