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	hartrees
Energy at 0K	-552.519341
Energy at 298.15K
HF Energy	-551.671937
Nuclear repulsion energy	184.986007

Atom	x (Å)	y (Å)	z (Å)
S1	0.259	0.427	0.000
O2	-1.094	1.060	0.000
C3	0.259	-0.778	1.333
C4	0.259	-0.778	-1.333
H5	1.175	-1.363	1.300
H6	1.175	-1.363	-1.300
H7	0.205	-0.219	2.263
H8	0.205	-0.219	-2.263
H9	-0.621	-1.408	1.224
H10	-0.621	-1.408	-1.224

	S1	O2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.4935	1.7966	1.7966	2.3945	2.3945	2.3535	2.3535	2.3749	2.3749
O2	1.4935		2.6424	2.6424	3.5648	3.5648	2.9054	2.9054	2.7950	2.7950
C3	1.7966	2.6424		2.6657	1.0879	2.8484	1.0860	3.6389	1.0879	2.7763
C4	1.7966	2.6424	2.6657		2.8484	1.0879	3.6389	1.0860	2.7763	1.0879
H5	2.3945	3.5648	1.0879	2.8484		2.5996	1.7824	3.8652	1.7983	3.0978
H6	2.3945	3.5648	2.8484	1.0879	2.5996		3.8652	1.7824	3.0978	1.7983
H7	2.3535	2.9054	1.0860	3.6389	1.7824	3.8652		4.5250	1.7821	3.7750
H8	2.3535	2.9054	3.6389	1.0860	3.8652	1.7824	4.5250		3.7750	1.7821
H9	2.3749	2.7950	1.0879	2.7763	1.7983	3.0978	1.7821	3.7750		2.4476
H10	2.3749	2.7950	2.7763	1.0879	3.0978	1.7983	3.7750	1.7821	2.4476

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C3	H5	109.770	S1	C3	H7	106.864
S1	C3	H9	108.320	S1	C4	H6	109.770
S1	C4	H8	106.864	S1	C4	H10	108.320
O2	S1	C3	106.499	O2	S1	C4	106.499
C3	S1	C4	95.783	H5	C3	H7	110.156
H5	C3	H9	111.483	H6	C4	H8	110.156
H6	C4	H10	111.483	H7	C3	H9	110.121
H8	C4	H10	110.121

All results from a given calculation for CH₃SOCH₃ (Dimethyl sulfoxide)

using model chemistry: MP2/aug-cc-pVQZ

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 CH3SOCH3 (Dimethyl sulfoxide)

using model chemistry: MP2/aug-cc-pVQZ

States and conformations

All results from a given calculation for CH₃SOCH₃ (Dimethyl sulfoxide)