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	hartrees
Energy at 0K	-2480.870712
Energy at 298.15K	-2480.874651
HF Energy	-2480.870712
Nuclear repulsion energy	184.468398

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3094	3075	9.52
2	A₁	2979	2961	25.01
3	A₁	1392	1383	0.55
4	A₁	1241	1234	1.78
5	A₁	932	926	13.46
6	A₁	574	571	0.25
7	A₁	201	200	0.02
8	A₂	3085	3066	0.00
9	A₂	1374	1365	0.00
10	A₂	850	844	0.00
11	A₂	150	149	0.00
12	B₁	3078	3059	13.75
13	B₁	1383	1374	11.18
14	B₁	879	874	9.25
15	B₁	147	146	0.31
16	B₂	3095	3076	1.86
17	B₂	2982	2964	21.65
18	B₂	1385	1376	14.72
19	B₂	1218	1211	7.39
20	B₂	816	811	0.39
21	B₂	588	584	0.95

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.479
C2	0.000	1.471	-0.829
C3	0.000	-1.471	-0.829
H4	0.000	2.413	-0.253
H5	0.000	-2.413	-0.253
H6	0.907	1.428	-1.457
H7	-0.907	1.428	-1.457
H8	-0.907	-1.428	-1.457
H9	0.907	-1.428	-1.457

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9683	1.9683	2.5216	2.5216	2.5707	2.5707	2.5707	2.5707
C2	1.9683		2.9422	1.1037	3.9264	1.1039	1.1039	3.1018	3.1018
C3	1.9683	2.9422		3.9264	1.1037	3.1018	3.1018	1.1039	1.1039
H4	2.5216	1.1037	3.9264		4.8259	1.8002	1.8002	4.1259	4.1259
H5	2.5216	3.9264	1.1037	4.8259		4.1259	4.1259	1.8002	1.8002
H6	2.5707	1.1039	3.1018	1.8002	4.1259		1.8136	3.3831	2.8560
H7	2.5707	1.1039	3.1018	1.8002	4.1259	1.8136		2.8560	3.3831
H8	2.5707	3.1018	1.1039	4.1259	1.8002	3.3831	2.8560		1.8136
H9	2.5707	3.1018	1.1039	4.1259	1.8002	2.8560	3.3831	1.8136

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.947	Se1	C2	H6	110.414
Se1	C2	H7	110.414	Se1	C3	H5	106.947
Se1	C3	H8	110.414	Se1	C3	H9	110.414
C2	Se1	C3	96.733	H4	C2	H6	109.265
H4	C2	H7	109.265	H5	C3	H8	109.265
H5	C3	H9	109.265	H6	C2	H7	110.457
H8	C3	H9	110.457

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: PBEPBE/aug-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	0.540
2	C	0.387
3	C	0.387
4	H	-0.283
5	H	-0.283
6	H	-0.187
7	H	-0.187
8	H	-0.187
9	H	-0.187

<r²>	93.997
(<r²>)^1/2	9.695

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: PBEPBE/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)