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	hartrees
Energy at 0K	-627.619121
Energy at 298.15K
HF Energy	-626.549468
Nuclear repulsion energy	274.194823

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.187
O2	-1.258	0.000	0.913
O3	1.258	0.000	0.913
C4	0.000	1.400	-0.914
C5	0.000	-1.400	-0.914
H6	0.000	2.279	-0.271
H7	0.000	-2.279	-0.271
H8	0.901	1.374	-1.522
H9	-0.901	1.374	-1.522
H10	-0.901	-1.374	-1.522
H11	0.901	-1.374	-1.522

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4524	1.4524	1.7814	1.7814	2.3247	2.3247	2.3711	2.3711	2.3711	2.3711
O2	1.4524		2.5161	2.6231	2.6231	2.8600	2.8600	3.5328	2.8187	2.8187	3.5328
O3	1.4524	2.5161		2.6231	2.6231	2.8600	2.8600	2.8187	3.5328	3.5328	2.8187
C4	1.7814	2.6231	2.6231		2.8007	1.0885	3.7351	1.0877	1.0877	2.9799	2.9799
C5	1.7814	2.6231	2.6231	2.8007		3.7351	1.0885	2.9799	2.9799	1.0877	1.0877
H6	2.3247	2.8600	2.8600	1.0885	3.7351		4.5581	1.7877	1.7877	3.9651	3.9651
H7	2.3247	2.8600	2.8600	3.7351	1.0885	4.5581		3.9651	3.9651	1.7877	1.7877
H8	2.3711	3.5328	2.8187	1.0877	2.9799	1.7877	3.9651		1.8026	3.2865	2.7480
H9	2.3711	2.8187	3.5328	1.0877	2.9799	1.7877	3.9651	1.8026		2.7480	3.2865
H10	2.3711	2.8187	3.5328	2.9799	1.0877	3.9651	1.7877	3.2865	2.7480		1.8026
H11	2.3711	3.5328	2.8187	2.9799	1.0877	3.9651	1.7877	2.7480	3.2865	1.8026

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.652	S1	C4	H8	109.065
S1	C4	H9	109.065	S1	C5	H7	105.652
S1	C5	H10	109.065	S1	C5	H11	109.065
O2	S1	O3	120.041	O2	S1	C4	107.990
O2	S1	C5	107.990	O3	S1	C4	107.990
O3	S1	C5	107.990	C4	S1	C5	103.648
H6	C4	H8	110.465	H6	C4	H9	110.465
H7	C5	H10	110.465	H7	C5	H11	110.465
H8	C4	H9	111.917	H10	C5	H11	111.917

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

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

States and conformations

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