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	hartrees
Energy at 0K	-2480.918041
Energy at 298.15K	-2480.922019
HF Energy	-2480.918041
Nuclear repulsion energy	184.641205

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3088	3053	9.50
2	A₁	2985	2951	24.39
3	A₁	1432	1415	0.78
4	A₁	1281	1266	2.99
5	A₁	950	939	20.73
6	A₁	572	566	0.22
7	A₁	204	202	0.02
8	A₂	3082	3047	0.00
9	A₂	1411	1395	0.00
10	A₂	866	856	0.00
11	A₂	154	153	0.00
12	B₁	3075	3040	17.84
13	B₁	1420	1404	14.47
14	B₁	899	889	14.88
15	B₁	149	147	0.50
16	B₂	3088	3053	1.72
17	B₂	2988	2954	21.77
18	B₂	1425	1409	18.99
19	B₂	1258	1243	5.21
20	B₂	833	823	0.17
21	B₂	585	579	1.29

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.477
C2	0.000	1.475	-0.827
C3	0.000	-1.475	-0.827
H4	0.000	2.406	-0.247
H5	0.000	-2.406	-0.247
H6	0.901	1.436	-1.451
H7	-0.901	1.436	-1.451
H8	-0.901	-1.436	-1.451
H9	0.901	-1.436	-1.451

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9684	1.9684	2.5127	2.5127	2.5673	2.5673	2.5673	2.5673
C2	1.9684		2.9495	1.0969	3.9238	1.0968	1.0968	3.1106	3.1106
C3	1.9684	2.9495		3.9238	1.0969	3.1106	3.1106	1.0968	1.0968
H4	2.5127	1.0969	3.9238		4.8121	1.7891	1.7891	4.1260	4.1260
H5	2.5127	3.9238	1.0969	4.8121		4.1260	4.1260	1.7891	1.7891
H6	2.5673	1.0968	3.1106	1.7891	4.1260		1.8026	3.3913	2.8725
H7	2.5673	1.0968	3.1106	1.7891	4.1260	1.8026		2.8725	3.3913
H8	2.5673	3.1106	1.0968	4.1260	1.7891	3.3913	2.8725		1.8026
H9	2.5673	3.1106	1.0968	4.1260	1.7891	2.8725	3.3913	1.8026

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.633	Se1	C2	H6	110.515
Se1	C2	H7	110.515	Se1	C3	H5	106.633
Se1	C3	H8	110.515	Se1	C3	H9	110.515
C2	Se1	C3	97.045	H4	C2	H6	109.286
H4	C2	H7	109.286	H5	C3	H8	109.286
H5	C3	H9	109.286	H6	C2	H7	110.515
H8	C3	H9	110.515

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: PBEPBEultrafine/TZVP

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	-0.032
2	C	-0.412
3	C	-0.412
4	H	0.144
5	H	0.144
6	H	0.142
7	H	0.142
8	H	0.142
9	H	0.142

<r²>	93.813
(<r²>)^1/2	9.686

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: PBEPBEultrafine/TZVP

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)