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	hartrees
Energy at 0K	-189.227712
Energy at 298.15K	-189.235051
HF Energy	-189.227712
Nuclear repulsion energy	119.677243

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3048	3005	0.00
2	A_g	2958	2916	0.00
3	A_g	1601	1579	0.00
4	A_g	1438	1418	0.00
5	A_g	1366	1347	0.00
6	A_g	1173	1157	0.00
7	A_g	888	876	0.00
8	A_g	581	573	0.00
9	A_u	3039	2996	29.26
10	A_u	1440	1420	12.88
11	A_u	1107	1091	1.33
12	A_u	281	277	5.85
13	A_u	158	156	2.34
14	B_g	3039	2996	0.00
15	B_g	1440	1420	0.00
16	B_g	1009	995	0.00
17	B_g	220	217	0.00
18	B_u	3047	3004	45.45
19	B_u	2955	2914	66.43
20	B_u	1445	1425	30.74
21	B_u	1374	1354	1.69
22	B_u	1109	1093	1.78
23	B_u	972	959	11.13
24	B_u	343	338	15.19

Atom	x (Å)	y (Å)	z (Å)
N1	0.371	0.497	0.000
N2	-0.371	-0.497	0.000
C3	-0.371	1.763	0.000
C4	0.371	-1.763	0.000
H5	-1.458	1.612	0.000
H6	1.458	-1.612	0.000
H7	-0.059	2.334	0.882
H8	-0.059	2.334	-0.882
H9	0.059	-2.334	0.882
H10	0.059	-2.334	-0.882

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2404	1.4679	2.2595	2.1422	2.3719	2.0834	2.0834	2.9817	2.9817
N2	1.2404		2.2595	1.4679	2.3719	2.1422	2.9817	2.9817	2.0834	2.0834
C3	1.4679	2.2595		3.6030	1.0967	3.8385	1.0962	1.0962	4.2131	4.2131
C4	2.2595	1.4679	3.6030		3.8385	1.0967	4.2131	4.2131	1.0962	1.0962
H5	2.1422	2.3719	1.0967	3.8385		4.3465	1.8042	1.8042	4.3189	4.3189
H6	2.3719	2.1422	3.8385	1.0967	4.3465		4.3189	4.3189	1.8042	1.8042
H7	2.0834	2.9817	1.0962	4.2131	1.8042	4.3189		1.7635	4.6705	4.9923
H8	2.0834	2.9817	1.0962	4.2131	1.8042	4.3189	1.7635		4.9923	4.6705
H9	2.9817	2.0834	4.2131	1.0962	4.3189	1.8042	4.6705	4.9923		1.7635
H10	2.9817	2.0834	4.2131	1.0962	4.3189	1.8042	4.9923	4.6705	1.7635

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	113.755	N1	C3	H5	112.487
N1	C3	H7	107.932	N1	C3	H8	107.932
N2	N1	C3	113.755	N2	C4	H6	112.487
N2	C4	H9	107.932	N2	C4	H10	107.932
H5	C3	H7	110.559	H5	C3	H8	110.559
H6	C4	H9	110.559	H6	C4	H10	110.559
H7	C3	H8	107.173	H9	C4	H10	107.173

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

using model chemistry: B97D3/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	-0.098
2	N	-0.098
3	C	-0.124
4	C	-0.124
5	H	0.056
6	H	0.056
7	H	0.083
8	H	0.083
9	H	0.083
10	H	0.083

	x	y	z
x	5.791	-0.478	0.000
y	-0.478	9.510	0.000
z	0.000	0.000	4.860

<r²>	93.891
(<r²>)^1/2	9.690

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

using model chemistry: B97D3/cc-pVTZ

States and conformations

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