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	hartrees
Energy at 0K	-189.062935
Energy at 298.15K	-189.070383
HF Energy	-189.062935
Nuclear repulsion energy	120.297853

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3160	3005	0.00
2	A_g	3061	2911	0.00
3	A_g	1728	1643	0.00
4	A_g	1497	1424	0.00
5	A_g	1430	1360	0.00
6	A_g	1236	1176	0.00
7	A_g	949	903	0.00
8	A_g	605	576	0.00
9	A_u	3148	2993	25.55
10	A_u	1499	1426	15.05
11	A_u	1149	1093	0.27
12	A_u	294	280	7.02
13	A_u	168	160	3.25
14	B_g	3148	2994	0.00
15	B_g	1498	1425	0.00
16	B_g	1047	996	0.00
17	B_g	234	222	0.00
18	B_u	3159	3005	34.06
19	B_u	3059	2909	44.73
20	B_u	1504	1431	26.00
21	B_u	1432	1362	2.08
22	B_u	1154	1098	0.35
23	B_u	1059	1008	9.51
24	B_u	354	337	14.95

Atom	x (Å)	y (Å)	z (Å)
N1	0.372	0.495	0.000
N2	-0.372	-0.495	0.000
C3	-0.372	1.748	0.000
C4	0.372	-1.748	0.000
H5	-1.456	1.590	0.000
H6	1.456	-1.590	0.000
H7	-0.066	2.322	0.882
H8	-0.066	2.322	-0.882
H9	0.066	-2.322	0.882
H10	0.066	-2.322	-0.882

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2384	1.4562	2.2430	2.1302	2.3504	2.0752	2.0752	2.9680	2.9680
N2	1.2384		2.2430	1.4562	2.3504	2.1302	2.9680	2.9680	2.0752	2.0752
C3	1.4562	2.2430		3.5734	1.0957	3.8052	1.0956	1.0956	4.1872	4.1872
C4	2.2430	1.4562	3.5734		3.8052	1.0957	4.1872	4.1872	1.0956	1.0956
H5	2.1302	2.3504	1.0957	3.8052		4.3117	1.8010	1.8010	4.2895	4.2895
H6	2.3504	2.1302	3.8052	1.0957	4.3117		4.2895	4.2895	1.8010	1.8010
H7	2.0752	2.9680	1.0956	4.1872	1.8010	4.2895		1.7630	4.6464	4.9696
H8	2.0752	2.9680	1.0956	4.1872	1.8010	4.2895	1.7630		4.9696	4.6464
H9	2.9680	2.0752	4.1872	1.0956	4.2895	1.8010	4.6464	4.9696		1.7630
H10	2.9680	2.0752	4.1872	1.0956	4.2895	1.8010	4.9696	4.6464	1.7630

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	112.445	N1	C3	H5	112.414
N1	C3	H7	107.994	N1	C3	H8	107.994
N2	N1	C3	112.445	N2	C4	H6	112.414
N2	C4	H9	107.994	N2	C4	H10	107.994
H5	C3	H7	110.551	H5	C3	H8	110.551
H6	C4	H9	110.551	H6	C4	H10	110.551
H7	C3	H8	107.144	H9	C4	H10	107.144

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

using model chemistry: HSEh1PBE/6-31G*

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	-0.180
2	N	-0.180
3	C	-0.382
4	C	-0.382
5	H	0.180
6	H	0.180
7	H	0.191
8	H	0.191
9	H	0.191
10	H	0.191

	x	y	z
x	4.548	-0.157	0.000
y	-0.157	7.978	0.000
z	0.000	0.000	4.001

<r²>	92.548
(<r²>)^1/2	9.620

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

using model chemistry: HSEh1PBE/6-31G*

States and conformations

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