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	hartrees
Energy at 0K	-2481.297748
Energy at 298.15K	-2481.301758
HF Energy	-2481.297748
Nuclear repulsion energy	185.173310

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3147	3044	13.64
2	A₁	3039	2939	29.59
3	A₁	1461	1413	0.32
4	A₁	1301	1258	3.86
5	A₁	968	937	13.50
6	A₁	584	565	0.43
7	A₁	202	195	0.02
8	A₂	3140	3037	0.00
9	A₂	1444	1396	0.00
10	A₂	881	852	0.00
11	A₂	152	147	0.00
12	B₁	3134	3031	21.59
13	B₁	1453	1405	9.35
14	B₁	911	882	7.47
15	B₁	147	142	0.28
16	B₂	3147	3044	4.69
17	B₂	3042	2942	28.17
18	B₂	1455	1407	12.56
19	B₂	1276	1235	13.90
20	B₂	845	818	0.20
21	B₂	599	579	0.39

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.476
C2	0.000	1.468	-0.826
C3	0.000	-1.468	-0.826
H4	0.000	2.402	-0.251
H5	0.000	-2.402	-0.251
H6	0.902	1.422	-1.448
H7	-0.902	1.422	-1.448
H8	-0.902	-1.422	-1.448
H9	0.902	-1.422	-1.448

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9624	1.9624	2.5096	2.5096	2.5573	2.5573	2.5573	2.5573
C2	1.9624		2.9364	1.0965	3.9126	1.0967	1.0967	3.0911	3.0911
C3	1.9624	2.9364		3.9126	1.0965	3.0911	3.0911	1.0967	1.0967
H4	2.5096	1.0965	3.9126		4.8039	1.7908	1.7908	4.1074	4.1074
H5	2.5096	3.9126	1.0965	4.8039		4.1074	4.1074	1.7908	1.7908
H6	2.5573	1.0967	3.0911	1.7908	4.1074		1.8033	3.3678	2.8443
H7	2.5573	1.0967	3.0911	1.7908	4.1074	1.8033		2.8443	3.3678
H8	2.5573	3.0911	1.0967	4.1074	1.7908	3.3678	2.8443		1.8033
H9	2.5573	3.0911	1.0967	4.1074	1.7908	2.8443	3.3678	1.8033

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.815	Se1	C2	H6	110.199
Se1	C2	H7	110.199	Se1	C3	H5	106.815
Se1	C3	H8	110.199	Se1	C3	H9	110.199
C2	Se1	C3	96.865	H4	C2	H6	109.474
H4	C2	H7	109.474	H5	C3	H8	109.474
H5	C3	H9	109.474	H6	C2	H7	110.600
H8	C3	H9	110.600

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: TPSSh/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	0.523
2	C	0.226
3	C	0.226
4	H	-0.221
5	H	-0.221
6	H	-0.133
7	H	-0.133
8	H	-0.133
9	H	-0.133

<r²>	93.255
(<r²>)^1/2	9.657

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: TPSSh/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)