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	hartrees
Energy at 0K	-2479.099067
Energy at 298.15K	-2479.103319
HF Energy	-2479.099067
Nuclear repulsion energy	186.941020

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3277	2970	14.98
2	A₁	3186	2887	30.81
3	A₁	1600	1450	0.85
4	A₁	1452	1316	3.77
5	A₁	1068	968	18.18
6	A₁	636	576	0.54
7	A₁	227	206	0.00
8	A₂	3275	2968	0.00
9	A₂	1580	1432	0.00
10	A₂	978	886	0.00
11	A₂	162	147	0.00
12	B₁	3271	2965	26.89
13	B₁	1589	1440	12.03
14	B₁	1006	912	7.50
15	B₁	163	148	0.34
16	B₂	3277	2970	5.66
17	B₂	3188	2889	37.10
18	B₂	1594	1444	12.41
19	B₂	1429	1296	14.99
20	B₂	935	848	0.09
21	B₂	657	596	0.22

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.467
C2	0.000	1.468	-0.808
C3	0.000	-1.468	-0.808
H4	0.000	2.385	-0.238
H5	0.000	-2.385	-0.238
H6	0.886	1.431	-1.424
H7	-0.886	1.431	-1.424
H8	-0.886	-1.431	-1.424
H9	0.886	-1.431	-1.424

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9442	1.9442	2.4870	2.4870	2.5307	2.5307	2.5307	2.5307
C2	1.9442		2.9364	1.0798	3.8954	1.0794	1.0794	3.0934	3.0934
C3	1.9442	2.9364		3.8954	1.0798	3.0934	3.0934	1.0794	1.0794
H4	2.4870	1.0798	3.8954		4.7704	1.7611	1.7611	4.0932	4.0932
H5	2.4870	3.8954	1.0798	4.7704		4.0932	4.0932	1.7611	1.7611
H6	2.5307	1.0794	3.0934	1.7611	4.0932		1.7715	3.3659	2.8620
H7	2.5307	1.0794	3.0934	1.7611	4.0932	1.7715		2.8620	3.3659
H8	2.5307	3.0934	1.0794	4.0932	1.7611	3.3659	2.8620		1.7715
H9	2.5307	3.0934	1.0794	4.0932	1.7611	2.8620	3.3659	1.7715

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	107.170	Se1	C2	H6	110.356
Se1	C2	H7	110.356	Se1	C3	H5	107.170
Se1	C3	H8	110.356	Se1	C3	H9	110.356
C2	Se1	C3	98.086	H4	C2	H6	109.299
H4	C2	H7	109.299	H5	C3	H8	109.299
H5	C3	H9	109.299	H6	C2	H7	110.295
H8	C3	H9	110.295

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: HF/Def2TZVPP

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	0.006
2	C	-0.278
3	C	-0.278
4	H	0.097
5	H	0.097
6	H	0.089
7	H	0.089
8	H	0.089
9	H	0.089

<r²>	92.223
(<r²>)^1/2	9.603

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)