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	hartrees
Energy at 0K	-189.223147
Energy at 298.15K	-189.230573
HF Energy	-189.223147
Nuclear repulsion energy	122.887901

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3178	3034	0.69
2	A₁	3040	2902	11.72
3	A₁	1708	1631	11.26
4	A₁	1476	1409	0.50
5	A₁	1401	1338	19.80
6	A₁	1101	1051	3.80
7	A₁	904	863	0.20
8	A₁	372	356	0.70
9	A₂	3121	2979	0.00
10	A₂	1481	1414	0.00
11	A₂	1094	1045	0.00
12	A₂	486	464	0.00
13	A₂	76	73	0.00
14	B₁	3113	2972	26.77
15	B₁	1508	1439	21.86
16	B₁	940	897	1.55
17	B₁	200	191	0.02
18	B₂	3177	3033	30.45
19	B₂	3042	2904	2.19
20	B₂	1462	1396	11.29
21	B₂	1383	1320	2.88
22	B₂	1182	1129	16.64
23	B₂	981	936	16.21
24	B₂	638	609	0.83

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.617	-0.778
N2	0.000	-0.617	-0.778
C3	0.000	1.346	0.497
C4	0.000	-1.346	0.497
H5	0.000	2.411	0.273
H6	0.000	-2.411	0.273
H7	-0.886	1.105	1.095
H8	0.886	1.105	1.095
H9	0.886	-1.105	1.095
H10	-0.886	-1.105	1.095

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2337	1.4681	2.3400	2.0790	3.2050	2.1282	2.1282	2.6935	2.6935
N2	1.2337		2.3400	1.4681	3.2050	2.0790	2.6935	2.6935	2.1282	2.1282
C3	1.4681	2.3400		2.6914	1.0888	3.7635	1.0957	1.0957	2.6734	2.6734
C4	2.3400	1.4681	2.6914		3.7635	1.0888	2.6734	2.6734	1.0957	1.0957
H5	2.0790	3.2050	1.0888	3.7635		4.8223	1.7798	1.7798	3.7179	3.7179
H6	3.2050	2.0790	3.7635	1.0888	4.8223		3.7179	3.7179	1.7798	1.7798
H7	2.1282	2.6935	1.0957	2.6734	1.7798	3.7179		1.7717	2.8321	2.2095
H8	2.1282	2.6935	1.0957	2.6734	1.7798	3.7179	1.7717		2.2095	2.8321
H9	2.6935	2.1282	2.6734	1.0957	3.7179	1.7798	2.8321	2.2095		1.7717
H10	2.6935	2.1282	2.6734	1.0957	3.7179	1.7798	2.2095	2.8321	1.7717

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	119.765	N1	C3	H5	107.881
N1	C3	H7	111.392	N1	C3	H8	111.392
N2	N1	C3	119.765	N2	C4	H6	107.881
N2	C4	H9	111.392	N2	C4	H10	111.392
H5	C3	H7	109.124	H5	C3	H8	109.124
H6	C4	H9	109.124	H6	C4	H10	109.124
H7	C3	H8	107.890	H9	C4	H10	107.890

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

using model chemistry: mPW1PW91/6-31G(2df,p)

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	-0.103
2	N	-0.103
3	C	-0.385
4	C	-0.385
5	H	0.166
6	H	0.166
7	H	0.161
8	H	0.161
9	H	0.161
10	H	0.161

<r²>	78.780
(<r²>)^1/2	8.876

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

using model chemistry: mPW1PW91/6-31G(2df,p)

States and conformations

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