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	hartrees
Energy at 0K	-2478.653478
Energy at 298.15K
HF Energy	-2478.501761
Nuclear repulsion energy	186.157377

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3197	3197	9.57
2	A₁	3089	3089	28.38
3	A₁	1510	1510	0.66
4	A₁	1369	1369	4.49
5	A₁	1015	1015	19.36
6	A₁	595	595	0.31
7	A₁	211	211	0.00
8	A₂	3190	3190	0.00
9	A₂	1491	1491	0.00
10	A₂	935	935	0.00
11	A₂	148	148	0.00
12	B₁	3184	3184	14.65
13	B₁	1503	1503	14.40
14	B₁	967	967	10.27
15	B₁	156	156	0.31
16	B₂	3197	3197	3.81
17	B₂	3092	3092	26.16
18	B₂	1503	1503	16.86
19	B₂	1344	1344	9.60
20	B₂	895	895	0.05
21	B₂	605	605	0.81

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.476
C2	0.000	1.458	-0.822
C3	0.000	-1.458	-0.822
H4	0.000	2.391	-0.260
H5	0.000	-2.391	-0.260
H6	0.893	1.412	-1.445
H7	-0.893	1.412	-1.445
H8	-0.893	-1.412	-1.445
H9	0.893	-1.412	-1.445

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9521	1.9521	2.5011	2.5011	2.5456	2.5456	2.5456	2.5456
C2	1.9521		2.9160	1.0891	3.8894	1.0892	1.0892	3.0697	3.0697
C3	1.9521	2.9160		3.8894	1.0891	3.0697	3.0697	1.0892	1.0892
H4	2.5011	1.0891	3.8894		4.7810	1.7772	1.7772	4.0821	4.0821
H5	2.5011	3.8894	1.0891	4.7810		4.0821	4.0821	1.7772	1.7772
H6	2.5456	1.0892	3.0697	1.7772	4.0821		1.7852	3.3415	2.8247
H7	2.5456	1.0892	3.0697	1.7772	4.0821	1.7852		2.8247	3.3415
H8	2.5456	3.0697	1.0892	4.0821	1.7772	3.3415	2.8247		1.7852
H9	2.5456	3.0697	1.0892	4.0821	1.7772	2.8247	3.3415	1.7852

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	107.215	Se1	C2	H6	110.410
Se1	C2	H7	110.410	Se1	C3	H5	107.215
Se1	C3	H8	110.410	Se1	C3	H9	110.410
C2	Se1	C3	96.643	H4	C2	H6	109.341
H4	C2	H7	109.341	H5	C3	H8	109.341
H5	C3	H9	109.341	H6	C2	H7	110.068
H8	C3	H9	110.068

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

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

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/6-31+G**

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)