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	hartrees
Energy at 0K	-2478.319729
Energy at 298.15K
HF Energy	-2478.234750
Nuclear repulsion energy	183.130369

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3208	3208	10.50
2	A₁	3098	3098	23.21
3	A₁	1542	1542	1.04
4	A₁	1395	1395	2.55
5	A₁	1023	1023	27.00
6	A₁	557	557	0.51
7	A₁	222	222	0.00
8	A₂	3213	3213	0.00
9	A₂	1526	1526	0.00
10	A₂	907	907	0.00
11	A₂	142	142	0.00
12	B₁	3209	3209	27.12
13	B₁	1538	1538	22.12
14	B₁	943	943	16.73
15	B₁	147	147	0.23
16	B₂	3209	3209	3.96
17	B₂	3101	3101	24.89
18	B₂	1532	1532	20.03
19	B₂	1366	1366	6.12
20	B₂	901	901	0.43
21	B₂	572	572	0.10

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.487
C2	0.000	1.483	-0.846
C3	0.000	-1.483	-0.846
H4	0.000	2.417	-0.284
H5	0.000	-2.417	-0.284
H6	0.899	1.423	-1.459
H7	-0.899	1.423	-1.459
H8	-0.899	-1.423	-1.459
H9	0.899	-1.423	-1.459

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9939	1.9939	2.5367	2.5367	2.5729	2.5729	2.5729	2.5729
C2	1.9939		2.9652	1.0906	3.9398	1.0898	1.0898	3.1023	3.1023
C3	1.9939	2.9652		3.9398	1.0906	3.1023	3.1023	1.0898	1.0898
H4	2.5367	1.0906	3.9398		4.8336	1.7829	1.7829	4.1148	4.1148
H5	2.5367	3.9398	1.0906	4.8336		4.1148	4.1148	1.7829	1.7829
H6	2.5729	1.0898	3.1023	1.7829	4.1148		1.7982	3.3658	2.8452
H7	2.5729	1.0898	3.1023	1.7829	4.1148	1.7982		2.8452	3.3658
H8	2.5729	3.1023	1.0898	4.1148	1.7829	3.3658	2.8452		1.7982
H9	2.5729	3.1023	1.0898	4.1148	1.7829	2.8452	3.3658	1.7982

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.977	Se1	C2	H6	109.580
Se1	C2	H7	109.580	Se1	C3	H5	106.977
Se1	C3	H8	109.580	Se1	C3	H9	109.580
C2	Se1	C3	96.068	H4	C2	H6	109.712
H4	C2	H7	109.712	H5	C3	H8	109.712
H5	C3	H9	109.712	H6	C2	H7	111.187
H8	C3	H9	111.187

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: B2PLYP=FULLultrafine/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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All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: B2PLYP=FULLultrafine/6-31G

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)