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	hartrees
Energy at 0K	-2477.630037
Energy at 298.15K	-2477.634348
HF Energy	-2476.991044
Nuclear repulsion energy	189.310647

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3207	3019	6.55
2	A₁	3108	2927	16.64
3	A₁	1533	1443	0.27
4	A₁	1375	1295	1.17
5	A₁	1006	947	18.47
6	A₁	669	630	0.05
7	A₁	226	212	0.03
8	A₂	3202	3015	0.00
9	A₂	1517	1429	0.00
10	A₂	924	870	0.00
11	A₂	193	182	0.00
12	B₁	3197	3011	12.41
13	B₁	1526	1437	11.19
14	B₁	956	900	9.00
15	B₁	191	180	0.33
16	B₂	3207	3020	1.33
17	B₂	3112	2930	16.73
18	B₂	1527	1438	13.86
19	B₂	1351	1272	6.34
20	B₂	881	830	0.30
21	B₂	686	646	1.75

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.465
C2	0.000	1.431	-0.800
C3	0.000	-1.431	-0.800
H4	0.000	2.367	-0.246
H5	0.000	-2.367	-0.246
H6	0.889	1.402	-1.427
H7	-0.889	1.402	-1.427
H8	-0.889	-1.402	-1.427
H9	0.889	-1.402	-1.427

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9102	1.9102	2.4712	2.4712	2.5170	2.5170	2.5170	2.5170
C2	1.9102		2.8620	1.0881	3.8382	1.0881	1.0881	3.0344	3.0344
C3	1.9102	2.8620		3.8382	1.0881	3.0344	3.0344	1.0881	1.0881
H4	2.4712	1.0881	3.8382		4.7338	1.7658	1.7658	4.0484	4.0484
H5	2.4712	3.8382	1.0881	4.7338		4.0484	4.0484	1.7658	1.7658
H6	2.5170	1.0881	3.0344	1.7658	4.0484		1.7782	3.3199	2.8036
H7	2.5170	1.0881	3.0344	1.7658	4.0484	1.7782		2.8036	3.3199
H8	2.5170	3.0344	1.0881	4.0484	1.7658	3.3199	2.8036		1.7782
H9	2.5170	3.0344	1.0881	4.0484	1.7658	2.8036	3.3199	1.7782

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	107.848	Se1	C2	H6	111.183
Se1	C2	H7	111.183	Se1	C3	H5	107.848
Se1	C3	H8	111.183	Se1	C3	H9	111.183
C2	Se1	C3	97.031	H4	C2	H6	108.471
H4	C2	H7	108.471	H5	C3	H8	108.471
H5	C3	H9	108.471	H6	C2	H7	109.590
H8	C3	H9	109.590

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: CCSD=FULL/6-31G(2df,p)

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: CCSD=FULL/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)