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	hartrees
Energy at 0K	-189.301579
Energy at 298.15K	-189.308980
HF Energy	-189.301579
Nuclear repulsion energy	119.659677

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3114	3022	0.00
2	A_g	3019	2929	0.00
3	A_g	1675	1625	0.00
4	A_g	1444	1402	0.00
5	A_g	1387	1346	0.00
6	A_g	1206	1170	0.00
7	A_g	927	899	0.00
8	A_g	594	576	0.00
9	A_u	3103	3011	20.68
10	A_u	1445	1403	17.03
11	A_u	1127	1093	1.56
12	A_u	290	281	7.09
13	A_u	158	154	1.82
14	B_g	3103	3011	0.00
15	B_g	1445	1402	0.00
16	B_g	1030	999	0.00
17	B_g	218	211	0.00
18	B_u	3114	3021	33.55
19	B_u	3017	2928	52.26
20	B_u	1450	1408	32.05
21	B_u	1392	1351	2.35
22	B_u	1127	1094	1.63
23	B_u	1029	999	9.46
24	B_u	351	340	16.60

Atom	x (Å)	y (Å)	z (Å)
N1	0.369	0.498	0.000
N2	-0.369	-0.498	0.000
C3	-0.369	1.764	0.000
C4	0.369	-1.764	0.000
H5	-1.457	1.608	0.000
H6	1.457	-1.608	0.000
H7	-0.056	2.335	0.886
H8	-0.056	2.335	-0.886
H9	0.056	-2.335	0.886
H10	0.056	-2.335	-0.886

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2402	1.4652	2.2624	2.1373	2.3713	2.0832	2.0832	2.9853	2.9853
N2	1.2402		2.2624	1.4652	2.3713	2.1373	2.9853	2.9853	2.0832	2.0832
C3	1.4652	2.2624		3.6045	1.0994	3.8353	1.0994	1.0994	4.2155	4.2155
C4	2.2624	1.4652	3.6045		3.8353	1.0994	4.2155	4.2155	1.0994	1.0994
H5	2.1373	2.3713	1.0994	3.8353		4.3410	1.8100	1.8100	4.3161	4.3161
H6	2.3713	2.1373	3.8353	1.0994	4.3410		4.3161	4.3161	1.8100	1.8100
H7	2.0832	2.9853	1.0994	4.2155	1.8100	4.3161		1.7711	4.6722	4.9966
H8	2.0832	2.9853	1.0994	4.2155	1.8100	4.3161	1.7711		4.9966	4.6722
H9	2.9853	2.0832	4.2155	1.0994	4.3161	1.8100	4.6722	4.9966		1.7711
H10	2.9853	2.0832	4.2155	1.0994	4.3161	1.8100	4.9966	4.6722	1.7711

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	113.232	N1	C3	H5	112.110
N1	C3	H7	107.795	N1	C3	H8	107.795
N2	N1	C3	113.232	N2	C4	H6	112.110
N2	C4	H9	107.795	N2	C4	H10	107.795
H5	C3	H7	110.812	H5	C3	H8	110.812
H6	C4	H9	110.812	H6	C4	H10	110.812
H7	C3	H8	107.322	H9	C4	H10	107.322

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

using model chemistry: B3LYPultrafine/aug-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	-0.358
2	N	-0.358
3	C	1.134
4	C	1.134
5	H	-0.285
6	H	-0.285
7	H	-0.246
8	H	-0.246
9	H	-0.246
10	H	-0.246

	x	y	z
x	6.438	-0.320	0.000
y	-0.320	9.737	0.000
z	0.000	0.000	5.416

<r²>	94.234
(<r²>)^1/2	9.707

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

using model chemistry: B3LYPultrafine/aug-cc-pVDZ

States and conformations

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