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	hartrees
Energy at 0K	-2481.380725
Energy at 298.15K	-2481.384819
HF Energy	-2481.380725
Nuclear repulsion energy	186.172857

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3181	3030	6.30
2	A₁	3061	2916	23.50
3	A₁	1456	1387	0.76
4	A₁	1316	1254	1.80
5	A₁	978	932	19.33
6	A₁	617	588	0.24
7	A₁	218	208	0.01
8	A₂	3173	3022	0.00
9	A₂	1442	1374	0.00
10	A₂	890	848	0.00
11	A₂	151	144	0.00
12	B₁	3167	3017	15.13
13	B₁	1451	1382	15.25
14	B₁	920	876	12.68
15	B₁	158	151	0.41
16	B₂	3182	3031	1.66
17	B₂	3065	2919	25.94
18	B₂	1449	1380	15.98
19	B₂	1294	1232	9.43
20	B₂	860	819	0.94
21	B₂	632	602	1.34

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.474
C2	0.000	1.456	-0.820
C3	0.000	-1.456	-0.820
H4	0.000	2.396	-0.251
H5	0.000	-2.396	-0.251
H6	0.901	1.414	-1.447
H7	-0.901	1.414	-1.447
H8	-0.901	-1.414	-1.447
H9	0.901	-1.414	-1.447

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9477	1.9477	2.5036	2.5036	2.5503	2.5503	2.5503	2.5503
C2	1.9477		2.9117	1.0986	3.8937	1.0989	1.0989	3.0731	3.0731
C3	1.9477	2.9117		3.8937	1.0986	3.0731	3.0731	1.0989	1.0989
H4	2.5036	1.0986	3.8937		4.7924	1.7904	1.7904	4.0942	4.0942
H5	2.5036	3.8937	1.0986	4.7924		4.0942	4.0942	1.7904	1.7904
H6	2.5503	1.0989	3.0731	1.7904	4.0942		1.8024	3.3542	2.8288
H7	2.5503	1.0989	3.0731	1.7904	4.0942	1.8024		2.8288	3.3542
H8	2.5503	3.0731	1.0989	4.0942	1.7904	3.3542	2.8288		1.8024
H9	2.5503	3.0731	1.0989	4.0942	1.7904	2.8288	3.3542	1.8024

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	107.233	Se1	C2	H6	110.554
Se1	C2	H7	110.554	Se1	C3	H5	107.233
Se1	C3	H8	110.554	Se1	C3	H9	110.554
C2	Se1	C3	96.747	H4	C2	H6	109.123
H4	C2	H7	109.123	H5	C3	H8	109.123
H5	C3	H9	109.123	H6	C2	H7	110.185
H8	C3	H9	110.185

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: wB97X-D/cc-pVDZ

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	-0.005
2	C	-0.230
3	C	-0.230
4	H	0.080
5	H	0.080
6	H	0.076
7	H	0.076
8	H	0.076
9	H	0.076

<r²>	92.177
(<r²>)^1/2	9.601

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)