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	hartrees
Energy at 0K	-627.673737
Energy at 298.15K
HF Energy	-626.546902
Nuclear repulsion energy	272.530627

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.189
O2	-1.271	0.000	0.918
O3	1.271	0.000	0.918
C4	0.000	1.404	-0.921
C5	0.000	-1.404	-0.921
H6	0.000	2.283	-0.274
H7	0.000	-2.283	-0.274
H8	0.904	1.375	-1.529
H9	-0.904	1.375	-1.529
H10	-0.904	-1.375	-1.529
H11	0.904	-1.375	-1.529

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4653	1.4653	1.7896	1.7896	2.3294	2.3294	2.3786	2.3786	2.3786	2.3786
O2	1.4653		2.5422	2.6395	2.6395	2.8720	2.8720	3.5505	2.8303	2.8303	3.5505
O3	1.4653	2.5422		2.6395	2.6395	2.8720	2.8720	2.8303	3.5505	3.5505	2.8303
C4	1.7896	2.6395	2.6395		2.8083	1.0907	3.7432	1.0898	1.0898	2.9851	2.9851
C5	1.7896	2.6395	2.6395	2.8083		3.7432	1.0907	2.9851	2.9851	1.0898	1.0898
H6	2.3294	2.8720	2.8720	1.0907	3.7432		4.5657	1.7928	1.7928	3.9712	3.9712
H7	2.3294	2.8720	2.8720	3.7432	1.0907	4.5657		3.9712	3.9712	1.7928	1.7928
H8	2.3786	3.5505	2.8303	1.0898	2.9851	1.7928	3.9712		1.8078	3.2911	2.7501
H9	2.3786	2.8303	3.5505	1.0898	2.9851	1.7928	3.9712	1.8078		2.7501	3.2911
H10	2.3786	2.8303	3.5505	2.9851	1.0898	3.9712	1.7928	3.2911	2.7501		1.8078
H11	2.3786	3.5505	2.8303	2.9851	1.0898	3.9712	1.7928	2.7501	3.2911	1.8078

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.356	S1	C4	H8	108.962
S1	C4	H9	108.962	S1	C5	H7	105.356
S1	C5	H10	108.962	S1	C5	H11	108.962
O2	S1	O3	120.341	O2	S1	C4	107.962
O2	S1	C5	107.962	O3	S1	C4	107.962
O3	S1	C5	107.962	C4	S1	C5	103.370
H6	C4	H8	110.614	H6	C4	H9	110.614
H7	C5	H10	110.614	H7	C5	H11	110.614
H8	C4	H9	112.085	H10	C5	H11	112.085

All results from a given calculation for C₂H₆O₂S (Dimethyl sulfone)

using model chemistry: MP4/aug-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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All results from a given calculation for C2H6O2S (Dimethyl sulfone)

using model chemistry: MP4/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₆O₂S (Dimethyl sulfone)