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	hartrees
Energy at 0K	-627.732716
Energy at 298.15K
HF Energy	-626.544921
Nuclear repulsion energy	274.732837

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.191
O2	-1.259	0.000	0.909
O3	1.259	0.000	0.909
C4	0.000	1.394	-0.914
C5	0.000	-1.394	-0.914
H6	0.000	2.272	-0.276
H7	0.000	-2.272	-0.276
H8	0.899	1.368	-1.521
H9	-0.899	1.368	-1.521
H10	-0.899	-1.368	-1.521
H11	0.899	-1.368	-1.521

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4495	1.4495	1.7786	1.7786	2.3193	2.3193	2.3681	2.3681	2.3681	2.3681
O2	1.4495		2.5179	2.6177	2.6177	2.8550	2.8550	3.5258	2.8116	2.8116	3.5258
O3	1.4495	2.5179		2.6177	2.6177	2.8550	2.8550	2.8116	3.5258	3.5258	2.8116
C4	1.7786	2.6177	2.6177		2.7871	1.0855	3.7204	1.0846	1.0846	2.9663	2.9663
C5	1.7786	2.6177	2.6177	2.7871		3.7204	1.0855	2.9663	2.9663	1.0846	1.0846
H6	2.3193	2.8550	2.8550	1.0855	3.7204		4.5435	1.7817	1.7817	3.9498	3.9498
H7	2.3193	2.8550	2.8550	3.7204	1.0855	4.5435		3.9498	3.9498	1.7817	1.7817
H8	2.3681	3.5258	2.8116	1.0846	2.9663	1.7817	3.9498		1.7976	3.2729	2.7350
H9	2.3681	2.8116	3.5258	1.0846	2.9663	1.7817	3.9498	1.7976		2.7350	3.2729
H10	2.3681	2.8116	3.5258	2.9663	1.0846	3.9498	1.7817	3.2729	2.7350		1.7976
H11	2.3681	3.5258	2.8116	2.9663	1.0846	3.9498	1.7817	2.7350	3.2729	1.7976

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.585	S1	C4	H8	109.190
S1	C4	H9	109.190	S1	C5	H7	105.585
S1	C5	H10	109.190	S1	C5	H11	109.190
O2	S1	O3	120.577	O2	S1	C4	107.937
O2	S1	C5	107.937	O3	S1	C4	107.937
O3	S1	C5	107.937	C4	S1	C5	103.168
H6	C4	H8	110.373	H6	C4	H9	110.373
H7	C5	H10	110.373	H7	C5	H11	110.373
H8	C4	H9	111.920	H10	C5	H11	111.920

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

using model chemistry: CCSD(T)=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: CCSD(T)=FULL/cc-pVTZ

States and conformations

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