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	hartrees
Energy at 0K	-2480.860714
Energy at 298.15K	-2480.864677
HF Energy	-2480.860714
Nuclear repulsion energy	184.523216

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3095	3077	7.54
2	A₁	2978	2961	22.17
3	A₁	1401	1392	0.17
4	A₁	1246	1239	3.15
5	A₁	933	927	17.91
6	A₁	576	572	0.31
7	A₁	203	201	0.04
8	A₂	3088	3070	0.00
9	A₂	1380	1372	0.00
10	A₂	853	848	0.00
11	A₂	161	160	0.00
12	B₁	3081	3063	15.96
13	B₁	1388	1380	13.10
14	B₁	884	879	13.18
15	B₁	151	150	0.48
16	B₂	3096	3078	0.91
17	B₂	2982	2965	22.48
18	B₂	1394	1386	18.11
19	B₂	1222	1215	11.17
20	B₂	817	812	0.87
21	B₂	588	584	1.37

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.477
C2	0.000	1.472	-0.826
C3	0.000	-1.472	-0.826
H4	0.000	2.412	-0.243
H5	0.000	-2.412	-0.243
H6	0.909	1.432	-1.457
H7	-0.909	1.432	-1.457
H8	-0.909	-1.432	-1.457
H9	0.909	-1.432	-1.457

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9661	1.9661	2.5172	2.5172	2.5729	2.5729	2.5729	2.5729
C2	1.9661		2.9432	1.1067	3.9271	1.1071	1.1071	3.1076	3.1076
C3	1.9661	2.9432		3.9271	1.1067	3.1076	3.1076	1.1071	1.1071
H4	2.5172	1.1067	3.9271		4.8238	1.8056	1.8056	4.1327	4.1327
H5	2.5172	3.9271	1.1067	4.8238		4.1327	4.1327	1.8056	1.8056
H6	2.5729	1.1071	3.1076	1.8056	4.1327		1.8186	3.3932	2.8647
H7	2.5729	1.1071	3.1076	1.8056	4.1327	1.8186		2.8647	3.3932
H8	2.5729	3.1076	1.1071	4.1327	1.8056	3.3932	2.8647		1.8186
H9	2.5729	3.1076	1.1071	4.1327	1.8056	2.8647	3.3932	1.8186

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.634	Se1	C2	H6	110.553
Se1	C2	H7	110.553	Se1	C3	H5	106.634
Se1	C3	H8	110.553	Se1	C3	H9	110.553
C2	Se1	C3	96.919	H4	C2	H6	109.292
H4	C2	H7	109.292	H5	C3	H8	109.292
H5	C3	H9	109.292	H6	C2	H7	110.429
H8	C3	H9	110.429

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: PBEPBE/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	-0.009
2	C	-0.209
3	C	-0.209
4	H	0.071
5	H	0.071
6	H	0.071
7	H	0.071
8	H	0.071
9	H	0.071

<r²>	93.553
(<r²>)^1/2	9.672

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)