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	hartrees
Energy at 0K	-627.678063
Energy at 298.15K
HF Energy	-626.546424
Nuclear repulsion energy	276.522664

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.189
O2	-1.246	0.000	0.904
O3	1.246	0.000	0.904
C4	0.000	1.389	-0.908
C5	0.000	-1.389	-0.908
H6	0.000	2.263	-0.271
H7	0.000	-2.263	-0.271
H8	0.896	1.366	-1.513
H9	-0.896	1.366	-1.513
H10	-0.896	-1.366	-1.513
H11	0.896	-1.366	-1.513

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4368	1.4368	1.7695	1.7695	2.3095	2.3095	2.3587	2.3587	2.3587	2.3587
O2	1.4368		2.4919	2.6010	2.6010	2.8382	2.8382	3.5065	2.7982	2.7982	3.5065
O3	1.4368	2.4919		2.6010	2.6010	2.8382	2.8382	2.7982	3.5065	3.5065	2.7982
C4	1.7695	2.6010	2.6010		2.7771	1.0825	3.7071	1.0813	1.0813	2.9587	2.9587
C5	1.7695	2.6010	2.6010	2.7771		3.7071	1.0825	2.9587	2.9587	1.0813	1.0813
H6	2.3095	2.8382	2.8382	1.0825	3.7071		4.5268	1.7756	1.7756	3.9390	3.9390
H7	2.3095	2.8382	2.8382	3.7071	1.0825	4.5268		3.9390	3.9390	1.7756	1.7756
H8	2.3587	3.5065	2.7982	1.0813	2.9587	1.7756	3.9390		1.7921	3.2666	2.7311
H9	2.3587	2.7982	3.5065	1.0813	2.9587	1.7756	3.9390	1.7921		2.7311	3.2666
H10	2.3587	2.7982	3.5065	2.9587	1.0813	3.9390	1.7756	3.2666	2.7311		1.7921
H11	2.3587	3.5065	2.7982	2.9587	1.0813	3.9390	1.7756	2.7311	3.2666	1.7921

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.609	S1	C4	H8	109.272
S1	C4	H9	109.272	S1	C5	H7	105.609
S1	C5	H10	109.272	S1	C5	H11	109.272
O2	S1	O3	120.272	O2	S1	C4	107.979
O2	S1	C5	107.979	O3	S1	C4	107.979
O3	S1	C5	107.979	C4	S1	C5	103.385
H6	C4	H8	110.282	H6	C4	H9	110.282
H7	C5	H10	110.282	H7	C5	H11	110.282
H8	C4	H9	111.918	H10	C5	H11	111.918

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

using model chemistry: MP3=FULL/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: MP3=FULL/cc-pVTZ

States and conformations

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