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	hartrees
Energy at 0K	-2478.764686
Energy at 298.15K	-2478.768787
HF Energy	-2478.764686
Nuclear repulsion energy	186.741472

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3195	3049	8.32
2	A₁	3081	2940	21.11
3	A₁	1494	1426	0.15
4	A₁	1340	1279	2.82
5	A₁	994	949	23.02
6	A₁	598	571	0.38
7	A₁	219	209	0.07
8	A₂	3193	3047	0.00
9	A₂	1473	1406	0.00
10	A₂	896	855	0.00
11	A₂	164	156	0.00
12	B₁	3187	3041	15.72
13	B₁	1486	1418	13.47
14	B₁	934	892	13.56
15	B₁	162	155	0.43
16	B₂	3195	3049	1.51
17	B₂	3084	2943	20.76
18	B₂	1486	1418	17.73
19	B₂	1315	1254	7.82
20	B₂	869	829	0.77
21	B₂	613	585	0.79

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.470
C2	0.000	1.459	-0.814
C3	0.000	-1.459	-0.814
H4	0.000	2.387	-0.239
H5	0.000	-2.387	-0.239
H6	0.898	1.419	-1.433
H7	-0.898	1.419	-1.433
H8	-0.898	-1.419	-1.433
H9	0.898	-1.419	-1.433

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9435	1.9435	2.4898	2.4898	2.5380	2.5380	2.5380	2.5380
C2	1.9435		2.9180	1.0912	3.8883	1.0911	1.0911	3.0780	3.0780
C3	1.9435	2.9180		3.8883	1.0912	3.0780	3.0780	1.0911	1.0911
H4	2.4898	1.0912	3.8883		4.7733	1.7792	1.7792	4.0886	4.0886
H5	2.4898	3.8883	1.0912	4.7733		4.0886	4.0886	1.7792	1.7792
H6	2.5380	1.0911	3.0780	1.7792	4.0886		1.7954	3.3590	2.8389
H7	2.5380	1.0911	3.0780	1.7792	4.0886	1.7954		2.8389	3.3590
H8	2.5380	3.0780	1.0911	4.0886	1.7792	3.3590	2.8389		1.7954
H9	2.5380	3.0780	1.0911	4.0886	1.7792	2.8389	3.3590	1.7954

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.877	Se1	C2	H6	110.334
Se1	C2	H7	110.334	Se1	C3	H5	106.877
Se1	C3	H8	110.334	Se1	C3	H9	110.334
C2	Se1	C3	97.302	H4	C2	H6	109.237
H4	C2	H7	109.237	H5	C3	H8	109.237
H5	C3	H9	109.237	H6	C2	H7	110.731
H8	C3	H9	110.731

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: HSEh1PBE/6-31G**

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	-0.017
2	C	-0.474
3	C	-0.474
4	H	0.164
5	H	0.164
6	H	0.159
7	H	0.159
8	H	0.159
9	H	0.159

<r²>	91.696
(<r²>)^1/2	9.576

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: HSEh1PBE/6-31G**

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)