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	hartrees
Energy at 0K	-2478.769574
Energy at 298.15K	-2478.773677
HF Energy	-2478.769574
Nuclear repulsion energy	186.832378

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3200	3041	8.27
2	A₁	3091	2938	21.25
3	A₁	1514	1439	0.21
4	A₁	1356	1289	2.51
5	A₁	1004	954	24.59
6	A₁	601	571	0.39
7	A₁	219	208	0.07
8	A₂	3198	3039	0.00
9	A₂	1494	1419	0.00
10	A₂	899	854	0.00
11	A₂	165	157	0.00
12	B₁	3193	3034	15.76
13	B₁	1506	1431	14.90
14	B₁	938	891	14.20
15	B₁	162	154	0.43
16	B₂	3201	3042	1.64
17	B₂	3095	2941	20.90
18	B₂	1505	1431	18.74
19	B₂	1331	1265	7.22
20	B₂	877	834	0.74
21	B₂	616	585	0.69

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.470
C2	0.000	1.456	-0.814
C3	0.000	-1.456	-0.814
H4	0.000	2.386	-0.242
H5	0.000	-2.386	-0.242
H6	0.898	1.416	-1.435
H7	-0.898	1.416	-1.435
H8	-0.898	-1.416	-1.435
H9	0.898	-1.416	-1.435

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9421	1.9421	2.4905	2.4905	2.5376	2.5376	2.5376	2.5376
C2	1.9421		2.9125	1.0921	3.8850	1.0920	1.0920	3.0722	3.0722
C3	1.9421	2.9125		3.8850	1.0921	3.0722	3.0722	1.0920	1.0920
H4	2.4905	1.0921	3.8850		4.7728	1.7805	1.7805	4.0845	4.0845
H5	2.4905	3.8850	1.0921	4.7728		4.0845	4.0845	1.7805	1.7805
H6	2.5376	1.0920	3.0722	1.7805	4.0845		1.7959	3.3529	2.8313
H7	2.5376	1.0920	3.0722	1.7805	4.0845	1.7959		2.8313	3.3529
H8	2.5376	3.0722	1.0920	4.0845	1.7805	3.3529	2.8313		1.7959
H9	2.5376	3.0722	1.0920	4.0845	1.7805	2.8313	3.3529	1.7959

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.973	Se1	C2	H6	110.355
Se1	C2	H7	110.355	Se1	C3	H5	106.973
Se1	C3	H8	110.355	Se1	C3	H9	110.355
C2	Se1	C3	97.151	H4	C2	H6	109.219
H4	C2	H7	109.219	H5	C3	H8	109.219
H5	C3	H9	109.219	H6	C2	H7	110.634
H8	C3	H9	110.634

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: PBE1PBE/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	0.002
2	C	-0.611
3	C	-0.611
4	H	0.207
5	H	0.207
6	H	0.202
7	H	0.202
8	H	0.202
9	H	0.202

<r²>	91.606
(<r²>)^1/2	9.571

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: PBE1PBE/6-31G*

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)