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	hartrees
Energy at 0K	-2479.509788
Energy at 298.15K	-2479.513897
HF Energy	-2479.035999
Nuclear repulsion energy	185.641173

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3188	3050	9.66
2	A₁	3076	2943	23.34
3	A₁	1485	1420	0.11
4	A₁	1342	1284	3.14
5	A₁	986	943	16.51
6	A₁	614	587	0.12
7	A₁	217	208	0.00
8	A₂	3182	3045	0.00
9	A₂	1463	1400	0.00
10	A₂	908	869	0.00
11	A₂	153	147	0.00
12	B₁	3177	3040	22.23
13	B₁	1472	1408	11.31
14	B₁	938	897	9.35
15	B₁	155	149	0.36
16	B₂	3188	3050	3.57
17	B₂	3079	2946	25.25
18	B₂	1478	1414	13.64
19	B₂	1318	1261	12.58
20	B₂	868	830	0.33
21	B₂	632	605	1.33

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.479
C2	0.000	1.453	-0.827
C3	0.000	-1.453	-0.827
H4	0.000	2.402	-0.265
H5	0.000	-2.402	-0.265
H6	0.903	1.408	-1.458
H7	-0.903	1.408	-1.458
H8	-0.903	-1.408	-1.458
H9	0.903	-1.408	-1.458

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9535	1.9535	2.5145	2.5145	2.5589	2.5589	2.5589	2.5589
C2	1.9535		2.9068	1.1024	3.8961	1.1027	1.1027	3.0662	3.0662
C3	1.9535	2.9068		3.8961	1.1024	3.0662	3.0662	1.1027	1.1027
H4	2.5145	1.1024	3.8961		4.8040	1.7961	1.7961	4.0933	4.0933
H5	2.5145	3.8961	1.1024	4.8040		4.0933	4.0933	1.7961	1.7961
H6	2.5589	1.1027	3.0662	1.7961	4.0933		1.8064	3.3457	2.8162
H7	2.5589	1.1027	3.0662	1.7961	4.0933	1.8064		2.8162	3.3457
H8	2.5589	3.0662	1.1027	4.0933	1.7961	3.3457	2.8162		1.8064
H9	2.5589	3.0662	1.1027	4.0933	1.7961	2.8162	3.3457	1.8064

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	107.439	Se1	C2	H6	110.597
Se1	C2	H7	110.597	Se1	C3	H5	107.439
Se1	C3	H8	110.597	Se1	C3	H9	110.597
C2	Se1	C3	96.141	H4	C2	H6	109.080
H4	C2	H7	109.080	H5	C3	H8	109.080
H5	C3	H9	109.080	H6	C2	H7	109.987
H8	C3	H9	109.987

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: CCD/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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All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: CCD/cc-pVDZ

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)