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	hartrees
Energy at 0K	-627.829071
Energy at 298.15K
HF Energy	-626.565888
Nuclear repulsion energy	275.688583

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.192
O2	-1.254	0.000	0.905
O3	1.254	0.000	0.905
C4	0.000	1.387	-0.911
C5	0.000	-1.387	-0.911
H6	0.000	2.266	-0.273
H7	0.000	-2.266	-0.273
H8	0.899	1.366	-1.519
H9	-0.899	1.366	-1.519
H10	-0.899	-1.366	-1.519
H11	0.899	-1.366	-1.519

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4430	1.4430	1.7721	1.7721	2.3135	2.3135	2.3663	2.3663	2.3663	2.3663
O2	1.4430		2.5087	2.6068	2.6068	2.8456	2.8456	3.5180	2.8050	2.8050	3.5180
O3	1.4430	2.5087		2.6068	2.6068	2.8456	2.8456	2.8050	3.5180	3.5180	2.8050
C4	1.7721	2.6068	2.6068		2.7744	1.0863	3.7089	1.0851	1.0851	2.9591	2.9591
C5	1.7721	2.6068	2.6068	2.7744		3.7089	1.0863	2.9591	2.9591	1.0851	1.0851
H6	2.3135	2.8456	2.8456	1.0863	3.7089		4.5328	1.7808	1.7808	3.9437	3.9437
H7	2.3135	2.8456	2.8456	3.7089	1.0863	4.5328		3.9437	3.9437	1.7808	1.7808
H8	2.3663	3.5180	2.8050	1.0851	2.9591	1.7808	3.9437		1.7971	3.2698	2.7316
H9	2.3663	2.8050	3.5180	1.0851	2.9591	1.7808	3.9437	1.7971		2.7316	3.2698
H10	2.3663	2.8050	3.5180	2.9591	1.0851	3.9437	1.7808	3.2698	2.7316		1.7971
H11	2.3663	3.5180	2.8050	2.9591	1.0851	3.9437	1.7808	2.7316	3.2698	1.7971

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.551	S1	C4	H8	109.466
S1	C4	H9	109.466	S1	C5	H7	105.551
S1	C5	H10	109.466	S1	C5	H11	109.466
O2	S1	O3	120.748	O2	S1	C4	107.915
O2	S1	C5	107.915	O3	S1	C4	107.915
O3	S1	C5	107.915	C4	S1	C5	103.037
H6	C4	H8	110.183	H6	C4	H9	110.183
H7	C5	H10	110.183	H7	C5	H11	110.183
H8	C4	H9	111.798	H10	C5	H11	111.798

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

using model chemistry: MP4=FULL/cc-pV(T+d)Z

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=FULL/cc-pV(T+d)Z

States and conformations

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