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	hartrees
Energy at 0K	-189.251358
Energy at 298.15K	-189.258781
HF Energy	-189.251358
Nuclear repulsion energy	120.307228

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3119	3004	0.00
2	A_g	3023	2912	0.00
3	A_g	1695	1633	0.00
4	A_g	1463	1409	0.00
5	A_g	1399	1347	0.00
6	A_g	1215	1170	0.00
7	A_g	931	896	0.00
8	A_g	598	575	0.00
9	A_u	3109	2994	26.33
10	A_u	1466	1412	18.59
11	A_u	1133	1091	0.97
12	A_u	292	281	6.58
13	A_u	160	154	2.86
14	B_g	3109	2994	0.00
15	B_g	1465	1411	0.00
16	B_g	1036	997	0.00
17	B_g	227	219	0.00
18	B_u	3119	3004	34.78
19	B_u	3022	2910	50.61
20	B_u	1470	1416	34.94
21	B_u	1403	1351	4.29
22	B_u	1133	1091	1.21
23	B_u	1037	999	11.75
24	B_u	349	336	15.06

Atom	x (Å)	y (Å)	z (Å)
N1	0.369	0.495	0.000
N2	-0.369	-0.495	0.000
C3	-0.369	1.752	0.000
C4	0.369	-1.752	0.000
H5	-1.452	1.594	0.000
H6	1.452	-1.594	0.000
H7	-0.060	2.324	0.880
H8	-0.060	2.324	-0.880
H9	0.060	-2.324	0.880
H10	0.060	-2.324	-0.880

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2344	1.4579	2.2465	2.1273	2.3529	2.0748	2.0748	2.9688	2.9688
N2	1.2344		2.2465	1.4579	2.3529	2.1273	2.9688	2.9688	2.0748	2.0748
C3	1.4579	2.2465		3.5806	1.0943	3.8095	1.0942	1.0942	4.1916	4.1916
C4	2.2465	1.4579	3.5806		3.8095	1.0943	4.1916	4.1916	1.0942	1.0942
H5	2.1273	2.3529	1.0943	3.8095		4.3127	1.8011	1.8011	4.2910	4.2910
H6	2.3529	2.1273	3.8095	1.0943	4.3127		4.2910	4.2910	1.8011	1.8011
H7	2.0748	2.9688	1.0942	4.1916	1.8011	4.2910		1.7603	4.6492	4.9713
H8	2.0748	2.9688	1.0942	4.1916	1.8011	4.2910	1.7603		4.9713	4.6492
H9	2.9688	2.0748	4.1916	1.0942	4.2910	1.8011	4.6492	4.9713		1.7603
H10	2.9688	2.0748	4.1916	1.0942	4.2910	1.8011	4.9713	4.6492	1.7603

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	112.850	N1	C3	H5	112.140
N1	C3	H7	107.931	N1	C3	H8	107.931
N2	N1	C3	112.850	N2	C4	H6	112.140
N2	C4	H9	107.931	N2	C4	H10	107.931
H5	C3	H7	110.767	H5	C3	H8	110.767
H6	C4	H9	110.767	H6	C4	H10	110.767
H7	C3	H8	107.107	H9	C4	H10	107.107

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

using model chemistry: B3PW91/6-311G**

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	-0.166
2	N	-0.166
3	C	-0.211
4	C	-0.211
5	H	0.112
6	H	0.112
7	H	0.132
8	H	0.132
9	H	0.132
10	H	0.132

	x	y	z
x	5.133	-0.305	0.000
y	-0.305	8.654	0.000
z	0.000	0.000	4.339

<r²>	92.859
(<r²>)^1/2	9.636

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

using model chemistry: B3PW91/6-311G**

States and conformations

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