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	hartrees
Energy at 0K	-186.996683
Energy at 298.15K	-187.004202
HF Energy	-186.996683
Nuclear repulsion energy	119.554640

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3295	2974	0.00
2	A_g	3209	2897	0.00
3	A_g	1751	1580	0.00
4	A_g	1646	1486	0.00
5	A_g	1568	1416	0.00
6	A_g	1314	1186	0.00
7	A_g	951	859	0.00
8	A_g	625	564	0.00
9	A_u	3276	2957	39.08
10	A_u	1656	1495	15.73
11	A_u	1253	1131	0.21
12	A_u	305	275	10.52
13	A_u	160	144	2.48
14	B_g	3276	2957	0.00
15	B_g	1655	1493	0.00
16	B_g	1151	1039	0.00
17	B_g	220	199	0.00
18	B_u	3295	2974	29.91
19	B_u	3208	2895	40.09
20	B_u	1658	1496	24.81
21	B_u	1568	1415	5.11
22	B_u	1262	1139	0.96
23	B_u	1045	943	5.14
24	B_u	357	322	18.91

Atom	x (Å)	y (Å)	z (Å)
N1	0.367	0.495	0.000
N2	-0.367	-0.495	0.000
C3	-0.367	1.783	0.000
C4	0.367	-1.783	0.000
H5	-1.436	1.623	0.000
H6	1.436	-1.623	0.000
H7	-0.064	2.338	0.878
H8	-0.064	2.338	-0.878
H9	0.064	-2.338	0.878
H10	0.064	-2.338	-0.878

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2323	1.4825	2.2775	2.1269	2.3720	2.0865	2.0865	2.9812	2.9812
N2	1.2323		2.2775	1.4825	2.3720	2.1269	2.9812	2.9812	2.0865	2.0865
C3	1.4825	2.2775		3.6402	1.0809	3.8533	1.0820	1.0820	4.2351	4.2351
C4	2.2775	1.4825	3.6402		3.8533	1.0809	4.2351	4.2351	1.0820	1.0820
H5	2.1269	2.3720	1.0809	3.8533		4.3337	1.7791	1.7791	4.3251	4.3251
H6	2.3720	2.1269	3.8533	1.0809	4.3337		4.3251	4.3251	1.7791	1.7791
H7	2.0865	2.9812	1.0820	4.2351	1.7791	4.3251		1.7554	4.6778	4.9963
H8	2.0865	2.9812	1.0820	4.2351	1.7791	4.3251	1.7554		4.9963	4.6778
H9	2.9812	2.0865	4.2351	1.0820	4.3251	1.7791	4.6778	4.9963		1.7554
H10	2.9812	2.0865	4.2351	1.0820	4.3251	1.7791	4.9963	4.6778	1.7554

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	113.734	N1	C3	H5	111.174
N1	C3	H7	107.876	N1	C3	H8	107.876
N2	N1	C3	113.734	N2	C4	H6	111.174
N2	C4	H9	107.876	N2	C4	H10	107.876
H5	C3	H7	110.687	H5	C3	H8	110.687
H6	C4	H9	110.687	H6	C4	H10	110.687
H7	C3	H8	108.423	H9	C4	H10	108.423

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

using model chemistry: HF/3-21G*

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	-0.270
2	N	-0.270
3	C	-0.402
4	C	-0.402
5	H	0.218
6	H	0.218
7	H	0.227
8	H	0.227
9	H	0.227
10	H	0.227

	x	y	z
x	3.858	0.104	0.000
y	0.104	7.331	0.000
z	0.000	0.000	3.520

<r²>	94.420
(<r²>)^1/2	9.717

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

using model chemistry: HF/3-21G*

States and conformations

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