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	hartrees
Energy at 0K	-189.201321
Energy at 298.15K	-189.208715
HF Energy	-189.201321
Nuclear repulsion energy	122.577535

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3159	3037	0.79
2	A₁	3022	2906	12.10
3	A₁	1685	1620	11.65
4	A₁	1467	1410	0.44
5	A₁	1390	1337	20.12
6	A₁	1093	1051	3.91
7	A₁	888	854	0.08
8	A₁	368	353	0.74
9	A₂	3102	2982	0.00
10	A₂	1473	1416	0.00
11	A₂	1086	1044	0.00
12	A₂	482	463	0.00
13	A₂	77	74	0.00
14	B₁	3094	2974	27.87
15	B₁	1498	1441	21.15
16	B₁	931	895	1.45
17	B₁	194	187	0.01
18	B₂	3158	3037	31.48
19	B₂	3024	2907	2.17
20	B₂	1454	1398	10.77
21	B₂	1373	1320	2.74
22	B₂	1174	1129	16.39
23	B₂	962	924	18.06
24	B₂	632	608	0.70

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.618	-0.779
N2	0.000	-0.618	-0.779
C3	0.000	1.351	0.498
C4	0.000	-1.351	0.498
H5	0.000	2.417	0.271
H6	0.000	-2.417	0.271
H7	-0.887	1.110	1.097
H8	0.887	1.110	1.097
H9	0.887	-1.110	1.097
H10	-0.887	-1.110	1.097

	N1	N2	C3	C4	H5	H6	H7	H8	H9	H10
N1		1.2363	1.4722	2.3468	2.0832	3.2120	2.1330	2.1330	2.7009	2.7009
N2	1.2363		2.3468	1.4722	3.2120	2.0832	2.7009	2.7009	2.1330	2.1330
C3	1.4722	2.3468		2.7016	1.0903	3.7749	1.0972	1.0972	2.6837	2.6837
C4	2.3468	1.4722	2.7016		3.7749	1.0903	2.6837	2.6837	1.0972	1.0972
H5	2.0832	3.2120	1.0903	3.7749		4.8346	1.7826	1.7826	3.7299	3.7299
H6	3.2120	2.0832	3.7749	1.0903	4.8346		3.7299	3.7299	1.7826	1.7826
H7	2.1330	2.7009	1.0972	2.6837	1.7826	3.7299		1.7739	2.8420	2.2204
H8	2.1330	2.7009	1.0972	2.6837	1.7826	3.7299	1.7739		2.2204	2.8420
H9	2.7009	2.1330	2.6837	1.0972	3.7299	1.7826	2.8420	2.2204		1.7739
H10	2.7009	2.1330	2.6837	1.0972	3.7299	1.7826	2.2204	2.8420	1.7739

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	C4	119.843	N1	C3	H5	107.840
N1	C3	H7	111.393	N1	C3	H8	111.393
N2	N1	C3	119.843	N2	C4	H6	107.840
N2	C4	H9	111.393	N2	C4	H10	111.393
H5	C3	H7	109.153	H5	C3	H8	109.153
H6	C4	H9	109.153	H6	C4	H10	109.153
H7	C3	H8	107.871	H9	C4	H10	107.871

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

using model chemistry: B3PW91/6-31G(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	-0.099
2	N	-0.099
3	C	-0.381
4	C	-0.381
5	H	0.163
6	H	0.163
7	H	0.158
8	H	0.158
9	H	0.158
10	H	0.158

<r²>	79.157
(<r²>)^1/2	8.897

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

using model chemistry: B3PW91/6-31G(2df,p)

States and conformations

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