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	hartrees
Energy at 0K	-189.074158
Energy at 298.15K	-189.081614
HF Energy	-189.074158
Nuclear repulsion energy	120.299206

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3149	3029	0.00
2	A_g	3039	2923	0.00
3	A_g	1730	1664	0.00
4	A_g	1438	1383	0.00
5	A_g	1381	1329	0.00
6	A_g	1221	1174	0.00
7	A_g	939	903	0.00
8	A_g	604	581	0.00
9	A_u	3137	3018	19.11
10	A_u	1442	1388	15.81
11	A_u	1122	1080	0.70
12	A_u	293	282	5.82
13	A_u	170	164	3.22
14	B_g	3137	3018	0.00
15	B_g	1441	1386	0.00
16	B_g	1023	984	0.00
17	B_g	236	227	0.00
18	B_u	3148	3028	27.50
19	B_u	3037	2921	49.07
20	B_u	1446	1390	30.56
21	B_u	1383	1331	1.41
22	B_u	1121	1078	1.19
23	B_u	1062	1022	13.16
24	B_u	353	339	14.68

Atom	x (Å)	y (Å)	z (Å)
N1	0.371	0.495	0.000
N2	-0.371	-0.495	0.000
C3	-0.371	1.745	0.000
C4	0.371	-1.745	0.000
H5	-1.461	1.586	0.000
H6	1.461	-1.586	0.000
H7	-0.062	2.325	0.884
H8	-0.062	2.325	-0.884
H9	0.062	-2.325	0.884
H10	0.062	-2.325	-0.884

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2363	1.4536	2.2401	2.1316	2.3489	2.0785	2.0785	2.9714	2.9714
N2	1.2363		2.2401	1.4536	2.3489	2.1316	2.9714	2.9714	2.0785	2.0785
C3	1.4536	2.2401		3.5684	1.1019	3.8013	1.1015	1.1015	4.1879	4.1879
C4	2.2401	1.4536	3.5684		3.8013	1.1019	4.1879	4.1879	1.1015	1.1015
H5	2.1316	2.3489	1.1019	3.8013		4.3121	1.8123	1.8123	4.2893	4.2893
H6	2.3489	2.1316	3.8013	1.1019	4.3121		4.2893	4.2893	1.8123	1.8123
H7	2.0785	2.9714	1.1015	4.1879	1.8123	4.2893		1.7687	4.6522	4.9770
H8	2.0785	2.9714	1.1015	4.1879	1.8123	4.2893	1.7687		4.9770	4.6522
H9	2.9714	2.0785	4.1879	1.1015	4.2893	1.8123	4.6522	4.9770		1.7687
H10	2.9714	2.0785	4.1879	1.1015	4.2893	1.8123	4.9770	4.6522	1.7687

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	112.520	N1	C3	H5	112.324
N1	C3	H7	108.078	N1	C3	H8	108.078
N2	N1	C3	112.520	N2	C4	H6	112.324
N2	C4	H9	108.078	N2	C4	H10	108.078
H5	C3	H7	110.674	H5	C3	H8	110.674
H6	C4	H9	110.674	H6	C4	H10	110.674
H7	C3	H8	106.804	H9	C4	H10	106.804

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

using model chemistry: HSEh1PBE/cc-pVDZ

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	0.019
4	C	0.019
5	H	0.033
6	H	0.033
7	H	0.057
8	H	0.057
9	H	0.057
10	H	0.057

	x	y	z
x	4.886	-0.341	0.000
y	-0.341	8.484	0.000
z	0.000	0.000	4.166

<r²>	92.594
(<r²>)^1/2	9.623

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

using model chemistry: HSEh1PBE/cc-pVDZ

States and conformations

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