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	hartrees
Energy at 0K	-2479.193226
Energy at 298.15K	-2479.197336
HF Energy	-2479.193226
Nuclear repulsion energy	186.655925

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3198	3033	9.11
2	A₁	3089	2930	23.17
3	A₁	1518	1440	0.38
4	A₁	1371	1301	2.05
5	A₁	1011	959	23.10
6	A₁	608	577	0.34
7	A₁	226	214	0.03
8	A₂	3193	3028	0.00
9	A₂	1504	1426	0.00
10	A₂	900	854	0.00
11	A₂	151	144	0.00
12	B₁	3187	3023	18.84
13	B₁	1516	1438	14.98
14	B₁	938	889	13.36
15	B₁	164	156	0.31
16	B₂	3198	3034	3.38
17	B₂	3092	2933	23.65
18	B₂	1510	1432	16.55
19	B₂	1347	1277	7.77
20	B₂	887	841	0.77
21	B₂	623	591	0.64

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.473
C2	0.000	1.454	-0.818
C3	0.000	-1.454	-0.818
H4	0.000	2.389	-0.254
H5	0.000	-2.389	-0.254
H6	0.897	1.408	-1.438
H7	-0.897	1.408	-1.438
H8	-0.897	-1.408	-1.438
H9	0.897	-1.408	-1.438

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9449	1.9449	2.4971	2.4971	2.5382	2.5382	2.5382	2.5382
C2	1.9449		2.9085	1.0918	3.8843	1.0916	1.0916	3.0634	3.0634
C3	1.9449	2.9085		3.8843	1.0918	3.0634	3.0634	1.0916	1.0916
H4	2.4971	1.0918	3.8843		4.7777	1.7801	1.7801	4.0776	4.0776
H5	2.4971	3.8843	1.0918	4.7777		4.0776	4.0776	1.7801	1.7801
H6	2.5382	1.0916	3.0634	1.7801	4.0776		1.7944	3.3398	2.8168
H7	2.5382	1.0916	3.0634	1.7801	4.0776	1.7944		2.8168	3.3398
H8	2.5382	3.0634	1.0916	4.0776	1.7801	3.3398	2.8168		1.7944
H9	2.5382	3.0634	1.0916	4.0776	1.7801	2.8168	3.3398	1.7944

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	107.270	Se1	C2	H6	110.231
Se1	C2	H7	110.231	Se1	C3	H5	107.270
Se1	C3	H8	110.231	Se1	C3	H9	110.231
C2	Se1	C3	96.786	H4	C2	H6	109.241
H4	C2	H7	109.241	H5	C3	H8	109.241
H5	C3	H9	109.241	H6	C2	H7	110.556
H8	C3	H9	110.556

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: wB97X-D/6-31G*

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	-0.583
3	C	-0.583
4	H	0.199
5	H	0.199
6	H	0.193
7	H	0.193
8	H	0.193
9	H	0.193

<r²>	91.685
(<r²>)^1/2	9.575

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: wB97X-D/6-31G*

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)