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	hartrees
Energy at 0K	-627.643663
Energy at 298.15K
HF Energy	-626.542859
Nuclear repulsion energy	273.065192

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.193
O2	-1.268	0.000	0.915
O3	1.268	0.000	0.915
C4	0.000	1.400	-0.921
C5	0.000	-1.400	-0.921
H6	0.000	2.283	-0.282
H7	0.000	-2.283	-0.282
H8	0.902	1.373	-1.530
H9	-0.902	1.373	-1.530
H10	-0.902	-1.373	-1.530
H11	0.902	-1.373	-1.530

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4594	1.4594	1.7889	1.7889	2.3320	2.3320	2.3812	2.3812	2.3812	2.3812
O2	1.4594		2.5363	2.6342	2.6342	2.8732	2.8732	3.5464	2.8288	2.8288	3.5464
O3	1.4594	2.5363		2.6342	2.6342	2.8732	2.8732	2.8288	3.5464	3.5464	2.8288
C4	1.7889	2.6342	2.6342		2.7998	1.0898	3.7379	1.0890	1.0890	2.9794	2.9794
C5	1.7889	2.6342	2.6342	2.7998		3.7379	1.0898	2.9794	2.9794	1.0890	1.0890
H6	2.3320	2.8732	2.8732	1.0898	3.7379		4.5662	1.7885	1.7885	3.9676	3.9676
H7	2.3320	2.8732	2.8732	3.7379	1.0898	4.5662		3.9676	3.9676	1.7885	1.7885
H8	2.3812	3.5464	2.8288	1.0890	2.9794	1.7885	3.9676		1.8038	3.2862	2.7469
H9	2.3812	2.8288	3.5464	1.0890	2.9794	1.7885	3.9676	1.8038		2.7469	3.2862
H10	2.3812	2.8288	3.5464	2.9794	1.0890	3.9676	1.7885	3.2862	2.7469		1.8038
H11	2.3812	3.5464	2.8288	2.9794	1.0890	3.9676	1.7885	2.7469	3.2862	1.8038

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.635	S1	C4	H8	109.245
S1	C4	H9	109.245	S1	C5	H7	105.635
S1	C5	H10	109.245	S1	C5	H11	109.245
O2	S1	O3	120.669	O2	S1	C4	107.947
O2	S1	C5	107.947	O3	S1	C4	107.947
O3	S1	C5	107.947	C4	S1	C5	102.990
H6	C4	H8	110.344	H6	C4	H9	110.344
H7	C5	H10	110.344	H7	C5	H11	110.344
H8	C4	H9	111.829	H10	C5	H11	111.829

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

using model chemistry: MP4/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/cc-pVTZ

States and conformations

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