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	hartrees
Energy at 0K	-2481.379820
Energy at 298.15K	-2481.383840
HF Energy	-2481.379820
Nuclear repulsion energy	184.599012

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3148	3054	9.39
2	A₁	3040	2949	23.33
3	A₁	1451	1408	0.25
4	A₁	1297	1258	4.01
5	A₁	965	936	17.68
6	A₁	579	562	0.38
7	A₁	207	201	0.03
8	A₂	3144	3049	0.00
9	A₂	1432	1389	0.00
10	A₂	883	857	0.00
11	A₂	158	153	0.00
12	B₁	3138	3044	19.85
13	B₁	1440	1396	12.09
14	B₁	913	885	11.80
15	B₁	151	147	0.41
16	B₂	3149	3055	2.14
17	B₂	3043	2952	25.53
18	B₂	1444	1401	15.95
19	B₂	1274	1235	14.93
20	B₂	846	821	0.72
21	B₂	594	576	0.81

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.476
C2	0.000	1.476	-0.825
C3	0.000	-1.476	-0.825
H4	0.000	2.409	-0.245
H5	0.000	-2.409	-0.245
H6	0.903	1.436	-1.452
H7	-0.903	1.436	-1.452
H8	-0.903	-1.436	-1.452
H9	0.903	-1.436	-1.452

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9677	1.9677	2.5151	2.5151	2.5681	2.5681	2.5681	2.5681
C2	1.9677		2.9513	1.0995	3.9282	1.0997	1.0997	3.1123	3.1123
C3	1.9677	2.9513		3.9282	1.0995	3.1123	3.1123	1.0997	1.0997
H4	2.5151	1.0995	3.9282		4.8189	1.7942	1.7942	4.1304	4.1304
H5	2.5151	3.9282	1.0995	4.8189		4.1304	4.1304	1.7942	1.7942
H6	2.5681	1.0997	3.1123	1.7942	4.1304		1.8061	3.3929	2.8723
H7	2.5681	1.0997	3.1123	1.7942	4.1304	1.8061		2.8723	3.3929
H8	2.5681	3.1123	1.0997	4.1304	1.7942	3.3929	2.8723		1.8061
H9	2.5681	3.1123	1.0997	4.1304	1.7942	2.8723	3.3929	1.8061

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.717	Se1	C2	H6	110.475
Se1	C2	H7	110.475	Se1	C3	H5	106.717
Se1	C3	H8	110.475	Se1	C3	H9	110.475
C2	Se1	C3	97.170	H4	C2	H6	109.343
H4	C2	H7	109.343	H5	C3	H8	109.343
H5	C3	H9	109.343	H6	C2	H7	110.405
H8	C3	H9	110.405

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: B3LYP/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	-0.007
2	C	-0.168
3	C	-0.168
4	H	0.057
5	H	0.057
6	H	0.057
7	H	0.057
8	H	0.057
9	H	0.057

<r²>	93.592
(<r²>)^1/2	9.674

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: B3LYP/cc-pVDZ

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)