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	hartrees
Energy at 0K	-2468.996745
Energy at 298.15K
HF Energy	-2468.914790
Nuclear repulsion energy	183.547795

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3191	3191	8.68
2	A₁	3099	3099	19.65
3	A₁	1565	1565	1.25
4	A₁	1416	1416	2.22
5	A₁	1027	1027	28.05
6	A₁	592	592	0.30
7	A₁	208	208	0.00
8	A₂	3191	3191	0.00
9	A₂	1545	1545	0.00
10	A₂	941	941	0.00
11	A₂	150	150	0.00
12	B₁	3187	3187	23.67
13	B₁	1553	1553	23.17
14	B₁	968	968	17.28
15	B₁	139	139	0.39
16	B₂	3191	3191	2.85
17	B₂	3102	3102	20.47
18	B₂	1556	1556	22.66
19	B₂	1393	1393	4.57
20	B₂	910	910	0.80
21	B₂	609	609	0.26

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.485
C2	0.000	1.479	-0.841
C3	0.000	-1.479	-0.841
H4	0.000	2.413	-0.278
H5	0.000	-2.413	-0.278
H6	0.894	1.431	-1.462
H7	-0.894	1.431	-1.462
H8	-0.894	-1.431	-1.462
H9	0.894	-1.431	-1.462

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9865	1.9865	2.5308	2.5308	2.5763	2.5763	2.5763	2.5763
C2	1.9865		2.9588	1.0902	3.9330	1.0896	1.0896	3.1075	3.1075
C3	1.9865	2.9588		3.9330	1.0902	3.1075	3.1075	1.0896	1.0896
H4	2.5308	1.0902	3.9330		4.8261	1.7790	1.7790	4.1205	4.1205
H5	2.5308	3.9330	1.0902	4.8261		4.1205	4.1205	1.7790	1.7790
H6	2.5763	1.0896	3.1075	1.7790	4.1205		1.7879	3.3748	2.8623
H7	2.5763	1.0896	3.1075	1.7790	4.1205	1.7879		2.8623	3.3748
H8	2.5763	3.1075	1.0896	4.1205	1.7790	3.3748	2.8623		1.7879
H9	2.5763	3.1075	1.0896	4.1205	1.7790	2.8623	3.3748	1.7879

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	107.052	Se1	C2	H6	110.329
Se1	C2	H7	110.329	Se1	C3	H5	107.052
Se1	C3	H8	110.329	Se1	C3	H9	110.329
C2	Se1	C3	96.272	H4	C2	H6	109.404
H4	C2	H7	109.404	H5	C3	H8	109.404
H5	C3	H9	109.404	H6	C2	H7	110.258
H8	C3	H9	110.258

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: B2PLYP=FULLultrafine/3-21G

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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All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: B2PLYP=FULLultrafine/3-21G

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)