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	hartrees
Energy at 0K	-627.819242
Energy at 298.15K
HF Energy	-626.566922
Nuclear repulsion energy	276.426117

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.192
O2	-1.248	0.000	0.903
O3	1.248	0.000	0.903
C4	0.000	1.386	-0.908
C5	0.000	-1.386	-0.908
H6	0.000	2.266	-0.271
H7	0.000	-2.266	-0.271
H8	0.898	1.364	-1.516
H9	-0.898	1.364	-1.516
H10	-0.898	-1.364	-1.516
H11	0.898	-1.364	-1.516

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4365	1.4365	1.7698	1.7698	2.3123	2.3123	2.3632	2.3632	2.3632	2.3632
O2	1.4365		2.4964	2.6000	2.6000	2.8404	2.8404	3.5099	2.7990	2.7990	3.5099
O3	1.4365	2.4964		2.6000	2.6000	2.8404	2.8404	2.7990	3.5099	3.5099	2.7990
C4	1.7698	2.6000	2.6000		2.7730	1.0859	3.7073	1.0848	1.0848	2.9569	2.9569
C5	1.7698	2.6000	2.6000	2.7730		3.7073	1.0859	2.9569	2.9569	1.0848	1.0848
H6	2.3123	2.8404	2.8404	1.0859	3.7073		4.5312	1.7803	1.7803	3.9413	3.9413
H7	2.3123	2.8404	2.8404	3.7073	1.0859	4.5312		3.9413	3.9413	1.7803	1.7803
H8	2.3632	3.5099	2.7990	1.0848	2.9569	1.7803	3.9413		1.7964	3.2669	2.7287
H9	2.3632	2.7990	3.5099	1.0848	2.9569	1.7803	3.9413	1.7964		2.7287	3.2669
H10	2.3632	2.7990	3.5099	2.9569	1.0848	3.9413	1.7803	3.2669	2.7287		1.7964
H11	2.3632	3.5099	2.7990	2.9569	1.0848	3.9413	1.7803	2.7287	3.2669	1.7964

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.630	S1	C4	H8	109.408
S1	C4	H9	109.408	S1	C5	H7	105.630
S1	C5	H10	109.408	S1	C5	H11	109.408
O2	S1	O3	120.667	O2	S1	C4	107.916
O2	S1	C5	107.916	O3	S1	C4	107.916
O3	S1	C5	107.916	C4	S1	C5	103.147
H6	C4	H8	110.208	H6	C4	H9	110.208
H7	C5	H10	110.208	H7	C5	H11	110.208
H8	C4	H9	111.787	H10	C5	H11	111.787

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

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

States and conformations

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