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	hartrees
Energy at 0K	-2480.879806
Energy at 298.15K	-2480.883775
HF Energy	-2480.879806
Nuclear repulsion energy	184.656760

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3087	3059	10.49
2	A₁	2984	2956	24.56
3	A₁	1430	1417	0.50
4	A₁	1272	1261	2.53
5	A₁	947	938	20.42
6	A₁	571	566	0.22
7	A₁	204	202	0.03
8	A₂	3082	3054	0.00
9	A₂	1410	1398	0.00
10	A₂	865	857	0.00
11	A₂	157	155	0.00
12	B₁	3075	3047	19.79
13	B₁	1419	1406	16.86
14	B₁	896	888	15.02
15	B₁	146	144	0.44
16	B₂	3088	3060	2.14
17	B₂	2987	2960	21.98
18	B₂	1423	1410	18.91
19	B₂	1250	1239	6.27
20	B₂	830	823	0.56
21	B₂	584	578	1.27

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.478
C2	0.000	1.473	-0.828
C3	0.000	-1.473	-0.828
H4	0.000	2.406	-0.251
H5	0.000	-2.406	-0.251
H6	0.902	1.430	-1.452
H7	-0.902	1.430	-1.452
H8	-0.902	-1.430	-1.452
H9	0.902	-1.430	-1.452

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9684	1.9684	2.5139	2.5139	2.5659	2.5659	2.5659	2.5659
C2	1.9684		2.9452	1.0977	3.9214	1.0977	1.0977	3.1032	3.1032
C3	1.9684	2.9452		3.9214	1.0977	3.1032	3.1032	1.0977	1.0977
H4	2.5139	1.0977	3.9214		4.8120	1.7915	1.7915	4.1200	4.1200
H5	2.5139	3.9214	1.0977	4.8120		4.1200	4.1200	1.7915	1.7915
H6	2.5659	1.0977	3.1032	1.7915	4.1200		1.8050	3.3824	2.8606
H7	2.5659	1.0977	3.1032	1.7915	4.1200	1.8050		2.8606	3.3824
H8	2.5659	3.1032	1.0977	4.1200	1.7915	3.3824	2.8606		1.8050
H9	2.5659	3.1032	1.0977	4.1200	1.7915	2.8606	3.3824	1.8050

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.674	Se1	C2	H6	110.368
Se1	C2	H7	110.368	Se1	C3	H5	106.674
Se1	C3	H8	110.368	Se1	C3	H9	110.368
C2	Se1	C3	96.856	H4	C2	H6	109.372
H4	C2	H7	109.372	H5	C3	H8	109.372
H5	C3	H9	109.372	H6	C2	H7	110.598
H8	C3	H9	110.598

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: PBEPBE/6-311G**

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	-0.014
2	C	-0.441
3	C	-0.441
4	H	0.151
5	H	0.151
6	H	0.149
7	H	0.149
8	H	0.149
9	H	0.149

<r²>	93.694
(<r²>)^1/2	9.680

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: PBEPBE/6-311G**

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)