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	hartrees
Energy at 0K	-2453.763666
Energy at 298.15K	-2453.767603
HF Energy	-2453.763666
Nuclear repulsion energy	187.454556

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3564	3564	0.04
2	A₁	3375	3375	0.38
3	A₁	1698	1698	0.59
4	A₁	1542	1542	0.99
5	A₁	1092	1092	19.87
6	A₁	689	689	0.75
7	A₁	241	241	0.09
8	A₂	3547	3547	0.00
9	A₂	1681	1681	0.00
10	A₂	1029	1029	0.00
11	A₂	116	116	0.00
12	B₁	3545	3545	1.39
13	B₁	1682	1682	11.03
14	B₁	1055	1055	2.57
15	B₁	99	99	0.52
16	B₂	3563	3563	1.37
17	B₂	3377	3377	0.02
18	B₂	1695	1695	10.85
19	B₂	1520	1520	10.86
20	B₂	993	993	0.37
21	B₂	701	701	0.04

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.479
C2	0.000	1.429	-0.822
C3	0.000	-1.429	-0.822
H4	0.000	2.385	-0.291
H5	0.000	-2.385	-0.291
H6	0.890	1.384	-1.459
H7	-0.890	1.384	-1.459
H8	-0.890	-1.384	-1.459
H9	0.890	-1.384	-1.459

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9322	1.9322	2.5058	2.5058	2.5422	2.5422	2.5422	2.5422
C2	1.9322		2.8577	1.0937	3.8504	1.0954	1.0954	3.0186	3.0186
C3	1.9322	2.8577		3.8504	1.0937	3.0186	3.0186	1.0954	1.0954
H4	2.5058	1.0937	3.8504		4.7695	1.7771	1.7771	4.0451	4.0451
H5	2.5058	3.8504	1.0937	4.7695		4.0451	4.0451	1.7771	1.7771
H6	2.5422	1.0954	3.0186	1.7771	4.0451		1.7804	3.2917	2.7687
H7	2.5422	1.0954	3.0186	1.7771	4.0451	1.7804		2.7687	3.2917
H8	2.5422	3.0186	1.0954	4.0451	1.7771	3.2917	2.7687		1.7804
H9	2.5422	3.0186	1.0954	4.0451	1.7771	2.7687	3.2917	1.7804

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	108.616	Se1	C2	H6	111.180
Se1	C2	H7	111.180	Se1	C3	H5	108.616
Se1	C3	H8	111.180	Se1	C3	H9	111.180
C2	Se1	C3	95.374	H4	C2	H6	108.540
H4	C2	H7	108.540	H5	C3	H8	108.540
H5	C3	H9	108.540	H6	C2	H7	108.712
H8	C3	H9	108.712

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: M06-2X/STO-3G

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	Se	0.097
2	C	-0.296
3	C	-0.296
4	H	0.087
5	H	0.087
6	H	0.080
7	H	0.080
8	H	0.080
9	H	0.080

<r²>	89.984
(<r²>)^1/2	9.486

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: M06-2X/STO-3G

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)