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	hartrees
Energy at 0K	-627.606017
Energy at 298.15K
HF Energy	-626.550320
Nuclear repulsion energy	275.009700

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.187
O2	-1.253	0.000	0.910
O3	1.253	0.000	0.910
C4	0.000	1.398	-0.911
C5	0.000	-1.398	-0.911
H6	0.000	2.275	-0.268
H7	0.000	-2.275	-0.268
H8	0.901	1.374	-1.518
H9	-0.901	1.374	-1.518
H10	-0.901	-1.374	-1.518
H11	0.901	-1.374	-1.518

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4462	1.4462	1.7773	1.7773	2.3201	2.3201	2.3679	2.3679	2.3679	2.3679
O2	1.4462		2.5053	2.6149	2.6149	2.8515	2.8515	3.5244	2.8118	2.8118	3.5244
O3	1.4462	2.5053		2.6149	2.6149	2.8515	2.8515	2.8118	3.5244	3.5244	2.8118
C4	1.7773	2.6149	2.6149		2.7954	1.0882	3.7289	1.0870	1.0870	2.9769	2.9769
C5	1.7773	2.6149	2.6149	2.7954		3.7289	1.0882	2.9769	2.9769	1.0870	1.0870
H6	2.3201	2.8515	2.8515	1.0882	3.7289		4.5504	1.7859	1.7859	3.9613	3.9613
H7	2.3201	2.8515	2.8515	3.7289	1.0882	4.5504		3.9613	3.9613	1.7859	1.7859
H8	2.3679	3.5244	2.8118	1.0870	2.9769	1.7859	3.9613		1.8023	3.2859	2.7475
H9	2.3679	2.8118	3.5244	1.0870	2.9769	1.7859	3.9613	1.8023		2.7475	3.2859
H10	2.3679	2.8118	3.5244	2.9769	1.0870	3.9613	1.7859	3.2859	2.7475		1.8023
H11	2.3679	3.5244	2.8118	2.9769	1.0870	3.9613	1.7859	2.7475	3.2859	1.8023

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.595	S1	C4	H8	109.134
S1	C4	H9	109.134	S1	C5	H7	105.595
S1	C5	H10	109.134	S1	C5	H11	109.134
O2	S1	O3	120.027	O2	S1	C4	107.982
O2	S1	C5	107.982	O3	S1	C4	107.982
O3	S1	C5	107.982	C4	S1	C5	103.704
H6	C4	H8	110.380	H6	C4	H9	110.380
H7	C5	H10	110.380	H7	C5	H11	110.380
H8	C4	H9	112.001	H10	C5	H11	112.001

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

using model chemistry: CCD/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: CCD/aug-cc-pVTZ

States and conformations

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