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	hartrees
Energy at 0K	-189.243978
Energy at 298.15K	-189.251422
HF Energy	-189.243978
Nuclear repulsion energy	120.894143

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3139	3004	0.00
2	A_g	3044	2914	0.00
3	A_g	1715	1642	0.00
4	A_g	1470	1407	0.00
5	A_g	1405	1345	0.00
6	A_g	1221	1169	0.00
7	A_g	936	896	0.00
8	A_g	601	576	0.00
9	A_u	3127	2993	21.57
10	A_u	1472	1409	15.31
11	A_u	1135	1086	1.02
12	A_u	294	281	6.27
13	A_u	162	155	2.13
14	B_g	3127	2993	0.00
15	B_g	1471	1408	0.00
16	B_g	1037	993	0.00
17	B_g	228	218	0.00
18	B_u	3138	3004	32.69
19	B_u	3043	2912	48.38
20	B_u	1477	1413	31.56
21	B_u	1408	1347	2.36
22	B_u	1136	1087	1.64
23	B_u	1051	1006	9.77
24	B_u	351	336	15.61

Atom	x (Å)	y (Å)	z (Å)
N1	0.366	0.492	0.000
N2	-0.366	-0.492	0.000
C3	-0.366	1.744	0.000
C4	0.366	-1.744	0.000
H5	-1.444	1.588	0.000
H6	1.444	-1.588	0.000
H7	-0.060	2.314	0.876
H8	-0.060	2.314	-0.876
H9	0.060	-2.314	0.876
H10	0.060	-2.314	-0.876

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2268	1.4511	2.2363	2.1166	2.3427	2.0666	2.0666	2.9557	2.9557
N2	1.2268		2.2363	1.4511	2.3427	2.1166	2.9557	2.9557	2.0666	2.0666
C3	1.4511	2.2363		3.5648	1.0889	3.7926	1.0889	1.0889	4.1740	4.1740
C4	2.2363	1.4511	3.5648		3.7926	1.0889	4.1740	4.1740	1.0889	1.0889
H5	2.1166	2.3427	1.0889	3.7926		4.2932	1.7914	1.7914	4.2733	4.2733
H6	2.3427	2.1166	3.7926	1.0889	4.2932		4.2733	4.2733	1.7914	1.7914
H7	2.0666	2.9557	1.0889	4.1740	1.7914	4.2733		1.7518	4.6303	4.9506
H8	2.0666	2.9557	1.0889	4.1740	1.7914	4.2733	1.7518		4.9506	4.6303
H9	2.9557	2.0666	4.1740	1.0889	4.2733	1.7914	4.6303	4.9506		1.7518
H10	2.9557	2.0666	4.1740	1.0889	4.2733	1.7914	4.9506	4.6303	1.7518

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	112.982	N1	C3	H5	112.091
N1	C3	H7	108.052	N1	C3	H8	108.052
N2	N1	C3	112.982	N2	C4	H6	112.091
N2	C4	H9	108.052	N2	C4	H10	108.052
H5	C3	H7	110.681	H5	C3	H8	110.681
H6	C4	H9	110.681	H6	C4	H10	110.681
H7	C3	H8	107.098	H9	C4	H10	107.098

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

using model chemistry: B1B95/cc-pVTZ

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	-0.097
2	N	-0.097
3	C	-0.202
4	C	-0.202
5	H	0.082
6	H	0.082
7	H	0.109
8	H	0.109
9	H	0.109
10	H	0.109

	x	y	z
x	5.473	-0.308	0.000
y	-0.308	8.878	0.000
z	0.000	0.000	4.703

<r²>	92.196
(<r²>)^1/2	9.602

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

using model chemistry: B1B95/cc-pVTZ

States and conformations

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