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	hartrees
Energy at 0K	-2481.391948
Energy at 298.15K	-2481.395976
HF Energy	-2481.391948
Nuclear repulsion energy	185.802011

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3141	3041	11.66
2	A₁	3043	2946	25.14
3	A₁	1491	1444	0.21
4	A₁	1321	1279	3.65
5	A₁	978	947	16.33
6	A₁	586	567	0.27
7	A₁	200	194	0.03
8	A₂	3136	3037	0.00
9	A₂	1472	1426	0.00
10	A₂	894	866	0.00
11	A₂	157	152	0.00
12	B₁	3130	3031	20.67
13	B₁	1480	1433	10.75
14	B₁	923	894	9.35
15	B₁	143	138	0.36
16	B₂	3141	3042	2.91
17	B₂	3046	2949	24.74
18	B₂	1485	1438	13.52
19	B₂	1299	1258	13.01
20	B₂	855	828	0.36
21	B₂	601	582	0.76

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.474
C2	0.000	1.467	-0.822
C3	0.000	-1.467	-0.822
H4	0.000	2.391	-0.246
H5	0.000	-2.391	-0.246
H6	0.895	1.422	-1.440
H7	-0.895	1.422	-1.440
H8	-0.895	-1.422	-1.440
H9	0.895	-1.422	-1.440

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9572	1.9572	2.4976	2.4976	2.5468	2.5468	2.5468	2.5468
C2	1.9572		2.9341	1.0888	3.9012	1.0888	1.0888	3.0874	3.0874
C3	1.9572	2.9341		3.9012	1.0888	3.0874	3.0874	1.0888	1.0888
H4	2.4976	1.0888	3.9012		4.7829	1.7790	1.7790	4.0952	4.0952
H5	2.4976	3.9012	1.0888	4.7829		4.0952	4.0952	1.7790	1.7790
H6	2.5468	1.0888	3.0874	1.7790	4.0952		1.7906	3.3613	2.8446
H7	2.5468	1.0888	3.0874	1.7790	4.0952	1.7906		2.8446	3.3613
H8	2.5468	3.0874	1.0888	4.0952	1.7790	3.3613	2.8446		1.7906
H9	2.5468	3.0874	1.0888	4.0952	1.7790	2.8446	3.3613	1.7906

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.655	Se1	C2	H6	110.176
Se1	C2	H7	110.176	Se1	C3	H5	106.655
Se1	C3	H8	110.176	Se1	C3	H9	110.176
C2	Se1	C3	97.103	H4	C2	H6	109.561
H4	C2	H7	109.561	H5	C3	H8	109.561
H5	C3	H9	109.561	H6	C2	H7	110.628
H8	C3	H9	110.628

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: TPSSh/cc-pVTZ

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	-0.043
2	C	-0.252
3	C	-0.252
4	H	0.092
5	H	0.092
6	H	0.091
7	H	0.091
8	H	0.091
9	H	0.091

<r²>	92.682
(<r²>)^1/2	9.627

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: TPSSh/cc-pVTZ

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)