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	hartrees
Energy at 0K	-627.665033
Energy at 298.15K
HF Energy	-626.548085
Nuclear repulsion energy	273.182417

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.189
O2	-1.266	0.000	0.915
O3	1.266	0.000	0.915
C4	0.000	1.404	-0.918
C5	0.000	-1.404	-0.918
H6	0.000	2.283	-0.273
H7	0.000	-2.283	-0.273
H8	0.904	1.375	-1.526
H9	-0.904	1.375	-1.526
H10	-0.904	-1.375	-1.526
H11	0.904	-1.375	-1.526

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4592	1.4592	1.7874	1.7874	2.3291	2.3291	2.3769	2.3769	2.3769	2.3769
O2	1.4592		2.5310	2.6329	2.6329	2.8678	2.8678	3.5437	2.8256	2.8256	3.5437
O3	1.4592	2.5310		2.6329	2.6329	2.8678	2.8678	2.8256	3.5437	3.5437	2.8256
C4	1.7874	2.6329	2.6329		2.8073	1.0906	3.7426	1.0896	1.0896	2.9850	2.9850
C5	1.7874	2.6329	2.6329	2.8073		3.7426	1.0906	2.9850	2.9850	1.0896	1.0896
H6	2.3291	2.8678	2.8678	1.0906	3.7426		4.5658	1.7920	1.7920	3.9714	3.9714
H7	2.3291	2.8678	2.8678	3.7426	1.0906	4.5658		3.9714	3.9714	1.7920	1.7920
H8	2.3769	3.5437	2.8256	1.0896	2.9850	1.7920	3.9714		1.8071	3.2914	2.7510
H9	2.3769	2.8256	3.5437	1.0896	2.9850	1.7920	3.9714	1.8071		2.7510	3.2914
H10	2.3769	2.8256	3.5437	2.9850	1.0896	3.9714	1.7920	3.2914	2.7510		1.8071
H11	2.3769	3.5437	2.8256	2.9850	1.0896	3.9714	1.7920	2.7510	3.2914	1.8071

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.472	S1	C4	H8	108.987
S1	C4	H9	108.987	S1	C5	H7	105.472
S1	C5	H10	108.987	S1	C5	H11	108.987
O2	S1	O3	120.282	O2	S1	C4	107.954
O2	S1	C5	107.954	O3	S1	C4	107.954
O3	S1	C5	107.954	C4	S1	C5	103.494
H6	C4	H8	110.559	H6	C4	H9	110.559
H7	C5	H10	110.559	H7	C5	H11	110.559
H8	C4	H9	112.040	H10	C5	H11	112.040

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

using model chemistry: QCISD(T)/aug-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: QCISD(T)/aug-cc-pVTZ

States and conformations

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