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	hartrees
Energy at 0K	-627.742267
Energy at 298.15K
HF Energy	-626.543933
Nuclear repulsion energy	274.059355

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.192
O2	-1.265	0.000	0.912
O3	1.265	0.000	0.912
C4	0.000	1.393	-0.917
C5	0.000	-1.393	-0.917
H6	0.000	2.273	-0.280
H7	0.000	-2.273	-0.280
H8	0.899	1.367	-1.524
H9	-0.899	1.367	-1.524
H10	-0.899	-1.367	-1.524
H11	0.899	-1.367	-1.524

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4557	1.4557	1.7803	1.7803	2.3214	2.3214	2.3704	2.3704	2.3704	2.3704
O2	1.4557		2.5301	2.6239	2.6239	2.8614	2.8614	3.5331	2.8168	2.8168	3.5331
O3	1.4557	2.5301		2.6239	2.6239	2.8614	2.8614	2.8168	3.5331	3.5331	2.8168
C4	1.7803	2.6239	2.6239		2.7867	1.0859	3.7213	1.0851	1.0851	2.9657	2.9657
C5	1.7803	2.6239	2.6239	2.7867		3.7213	1.0859	2.9657	2.9657	1.0851	1.0851
H6	2.3214	2.8614	2.8614	1.0859	3.7213		4.5461	1.7822	1.7822	3.9502	3.9502
H7	2.3214	2.8614	2.8614	3.7213	1.0859	4.5461		3.9502	3.9502	1.7822	1.7822
H8	2.3704	3.5331	2.8168	1.0851	2.9657	1.7822	3.9502		1.7978	3.2718	2.7336
H9	2.3704	2.8168	3.5331	1.0851	2.9657	1.7822	3.9502	1.7978		2.7336	3.2718
H10	2.3704	2.8168	3.5331	2.9657	1.0851	3.9502	1.7822	3.2718	2.7336		1.7978
H11	2.3704	3.5331	2.8168	2.9657	1.0851	3.9502	1.7822	2.7336	3.2718	1.7978

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.608	S1	C4	H8	109.219
S1	C4	H9	109.219	S1	C5	H7	105.608
S1	C5	H10	109.219	S1	C5	H11	109.219
O2	S1	O3	120.691	O2	S1	C4	107.938
O2	S1	C5	107.938	O3	S1	C4	107.938
O3	S1	C5	107.938	C4	S1	C5	103.004
H6	C4	H8	110.357	H6	C4	H9	110.357
H7	C5	H10	110.357	H7	C5	H11	110.357
H8	C4	H9	111.877	H10	C5	H11	111.877

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

using model chemistry: MP4=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: MP4=FULL/cc-pVTZ

States and conformations

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