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	hartrees
Energy at 0K	-2478.933259
Energy at 298.15K	-2478.937448
HF Energy	-2478.933259
Nuclear repulsion energy	188.310129

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3173	3039	7.20
2	A₁	3064	2935	19.22
3	A₁	1480	1417	0.28
4	A₁	1318	1262	1.34
5	A₁	979	937	19.26
6	A₁	645	617	0.15
7	A₁	218	209	0.08
8	A₂	3166	3032	0.00
9	A₂	1460	1398	0.00
10	A₂	892	854	0.00
11	A₂	179	171	0.00
12	B₁	3160	3026	13.71
13	B₁	1469	1407	11.64
14	B₁	926	887	10.18
15	B₁	176	169	0.44
16	B₂	3174	3039	0.94
17	B₂	3068	2938	19.34
18	B₂	1474	1411	15.77
19	B₂	1293	1238	6.68
20	B₂	852	816	0.46
21	B₂	658	630	1.61

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.464
C2	0.000	1.447	-0.800
C3	0.000	-1.447	-0.800
H4	0.000	2.375	-0.225
H5	0.000	-2.375	-0.225
H6	0.895	1.421	-1.426
H7	-0.895	1.421	-1.426
H8	-0.895	-1.421	-1.426
H9	0.895	-1.421	-1.426

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9213	1.9213	2.4728	2.4728	2.5278	2.5278	2.5278	2.5278
C2	1.9213		2.8940	1.0916	3.8649	1.0918	1.0918	3.0689	3.0689
C3	1.9213	2.8940		3.8649	1.0916	3.0689	3.0689	1.0918	1.0918
H4	2.4728	1.0916	3.8649		4.7498	1.7750	1.7750	4.0807	4.0807
H5	2.4728	3.8649	1.0916	4.7498		4.0807	4.0807	1.7750	1.7750
H6	2.5278	1.0918	3.0689	1.7750	4.0807		1.7892	3.3588	2.8426
H7	2.5278	1.0918	3.0689	1.7750	4.0807	1.7892		2.8426	3.3588
H8	2.5278	3.0689	1.0918	4.0807	1.7750	3.3588	2.8426		1.7892
H9	2.5278	3.0689	1.0918	4.0807	1.7750	2.8426	3.3588	1.7892

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	107.076	Se1	C2	H6	111.043
Se1	C2	H7	111.043	Se1	C3	H5	107.076
Se1	C3	H8	111.043	Se1	C3	H9	111.043
C2	Se1	C3	97.724	H4	C2	H6	108.768
H4	C2	H7	108.768	H5	C3	H8	108.768
H5	C3	H9	108.768	H6	C2	H7	110.044
H8	C3	H9	110.044

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: HSEh1PBE/6-31G(2df,p)

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	0.122
2	C	-0.567
3	C	-0.567
4	H	0.174
5	H	0.174
6	H	0.166
7	H	0.166
8	H	0.166
9	H	0.166

<r²>	90.549
(<r²>)^1/2	9.516

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: HSEh1PBE/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)