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	hartrees
Energy at 0K	-627.220855
Energy at 298.15K
HF Energy	-626.405422
Nuclear repulsion energy	272.077296

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.188
O2	-1.283	0.000	0.913
O3	1.283	0.000	0.913
C4	0.000	1.404	-0.914
C5	0.000	-1.404	-0.914
H6	0.000	2.285	-0.277
H7	0.000	-2.285	-0.277
H8	0.900	1.383	-1.524
H9	-0.900	1.383	-1.524
H10	-0.900	-1.383	-1.524
H11	0.900	-1.383	-1.524

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4736	1.4736	1.7851	1.7851	2.3322	2.3322	2.3779	2.3779	2.3779	2.3779
O2	1.4736		2.5655	2.6377	2.6377	2.8784	2.8784	3.5523	2.8288	2.8288	3.5523
O3	1.4736	2.5655		2.6377	2.6377	2.8784	2.8784	2.8288	3.5523	3.5523	2.8288
C4	1.7851	2.6377	2.6377		2.8078	1.0879	3.7439	1.0872	1.0872	2.9912	2.9912
C5	1.7851	2.6377	2.6377	2.8078		3.7439	1.0879	2.9912	2.9912	1.0872	1.0872
H6	2.3322	2.8784	2.8784	1.0879	3.7439		4.5708	1.7834	1.7834	3.9776	3.9776
H7	2.3322	2.8784	2.8784	3.7439	1.0879	4.5708		3.9776	3.9776	1.7834	1.7834
H8	2.3779	3.5523	2.8288	1.0872	2.9912	1.7834	3.9776		1.7994	3.2994	2.7656
H9	2.3779	2.8288	3.5523	1.0872	2.9912	1.7834	3.9776	1.7994		2.7656	3.2994
H10	2.3779	2.8288	3.5523	2.9912	1.0872	3.9776	1.7834	3.2994	2.7656		1.7994
H11	2.3779	3.5523	2.8288	2.9912	1.0872	3.9776	1.7834	2.7656	3.2994	1.7994

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.982	S1	C4	H8	109.348
S1	C4	H9	109.348	S1	C5	H7	105.982
S1	C5	H10	109.348	S1	C5	H11	109.348
O2	S1	O3	121.028	O2	S1	C4	107.699
O2	S1	C5	107.699	O3	S1	C4	107.699
O3	S1	C5	107.699	C4	S1	C5	103.713
H6	C4	H8	110.153	H6	C4	H9	110.153
H7	C5	H10	110.153	H7	C5	H11	110.153
H8	C4	H9	111.688	H10	C5	H11	111.688

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

using model chemistry: MP2/6-31+G**

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: MP2/6-31+G**

States and conformations

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