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	hartrees
Energy at 0K	-189.218014
Energy at 298.15K	-189.225444
HF Energy	-189.218014
Nuclear repulsion energy	120.730536

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3147	3017	0.00
2	A_g	3050	2924	0.00
3	A_g	1726	1655	0.00
4	A_g	1489	1427	0.00
5	A_g	1420	1361	0.00
6	A_g	1230	1180	0.00
7	A_g	946	907	0.00
8	A_g	603	578	0.00
9	A_u	3136	3007	33.72
10	A_u	1488	1427	18.32
11	A_u	1148	1100	1.28
12	A_u	294	282	6.37
13	A_u	157	151	2.68
14	B_g	3136	3007	0.00
15	B_g	1488	1426	0.00
16	B_g	1051	1007	0.00
17	B_g	226	216	0.00
18	B_u	3147	3016	41.18
19	B_u	3049	2922	55.37
20	B_u	1496	1434	34.63
21	B_u	1423	1364	4.32
22	B_u	1149	1101	1.46
23	B_u	1057	1013	10.80
24	B_u	351	337	14.46

Atom	x (Å)	y (Å)	z (Å)
N1	0.368	0.493	0.000
N2	-0.368	-0.493	0.000
C3	-0.368	1.745	0.000
C4	0.368	-1.745	0.000
H5	-1.448	1.586	0.000
H6	1.448	-1.586	0.000
H7	-0.062	2.316	0.878
H8	-0.062	2.316	-0.878
H9	0.062	-2.316	0.878
H10	0.062	-2.316	-0.878

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2301	1.4527	2.2377	2.1195	2.3423	2.0689	2.0689	2.9585	2.9585
N2	1.2301		2.2377	1.4527	2.3423	2.1195	2.9585	2.9585	2.0689	2.0689
C3	1.4527	2.2377		3.5668	1.0911	3.7938	1.0909	1.0909	4.1770	4.1770
C4	2.2377	1.4527	3.5668		3.7938	1.0911	4.1770	4.1770	1.0909	1.0909
H5	2.1195	2.3423	1.0911	3.7938		4.2947	1.7951	1.7951	4.2751	4.2751
H6	2.3423	2.1195	3.7938	1.0911	4.2947		4.2751	4.2751	1.7951	1.7951
H7	2.0689	2.9585	1.0909	4.1770	1.7951	4.2751		1.7557	4.6337	4.9551
H8	2.0689	2.9585	1.0909	4.1770	1.7951	4.2751	1.7557		4.9551	4.6337
H9	2.9585	2.0689	4.1770	1.0909	4.2751	1.7951	4.6337	4.9551		1.7557
H10	2.9585	2.0689	4.1770	1.0909	4.2751	1.7951	4.9551	4.6337	1.7557

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	112.780	N1	C3	H5	112.079
N1	C3	H7	108.008	N1	C3	H8	108.008
N2	N1	C3	112.780	N2	C4	H6	112.079
N2	C4	H9	108.008	N2	C4	H10	108.008
H5	C3	H7	110.702	H5	C3	H8	110.702
H6	C4	H9	110.702	H6	C4	H10	110.702
H7	C3	H8	107.156	H9	C4	H10	107.156

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

using model chemistry: B1B95/6-311G*

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	-0.130
2	N	-0.130
3	C	-0.537
4	C	-0.537
5	H	0.208
6	H	0.208
7	H	0.230
8	H	0.230
9	H	0.230
10	H	0.230

	x	y	z
x	5.023	-0.250	0.000
y	-0.250	8.433	0.000
z	0.000	0.000	4.258

<r²>	92.330
(<r²>)^1/2	9.609

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

using model chemistry: B1B95/6-311G*

States and conformations

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