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	hartrees
Energy at 0K	-477.470805
Energy at 298.15K
HF Energy	-476.803542
Nuclear repulsion energy	111.346430

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.665
C2	0.000	1.363	-0.516
C3	0.000	-1.363	-0.516
H4	0.000	2.288	0.053
H5	0.000	-2.288	0.053
H6	0.889	1.330	-1.139
H7	-0.889	1.330	-1.139
H8	-0.889	-1.330	-1.139
H9	0.889	-1.330	-1.139

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8029	1.8029	2.3686	2.3686	2.4108	2.4108	2.4108	2.4108
C2	1.8029		2.7259	1.0858	3.6951	1.0866	1.0866	2.9036	2.9036
C3	1.8029	2.7259		3.6951	1.0858	2.9036	2.9036	1.0866	1.0866
H4	2.3686	1.0858	3.6951		4.5763	1.7689	1.7689	3.9116	3.9116
H5	2.3686	3.6951	1.0858	4.5763		3.9116	3.9116	1.7689	1.7689
H6	2.4108	1.0866	2.9036	1.7689	3.9116		1.7789	3.1998	2.6598
H7	2.4108	1.0866	2.9036	1.7689	3.9116	1.7789		2.6598	3.1998
H8	2.4108	2.9036	1.0866	3.9116	1.7689	3.1998	2.6598		1.7789
H9	2.4108	2.9036	1.0866	3.9116	1.7689	2.6598	3.1998	1.7789

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.549	S1	C2	H6	110.636
S1	C2	H7	110.636	S1	C3	H5	107.549
S1	C3	H8	110.636	S1	C3	H9	110.636
C2	S1	C3	98.221	H4	C2	H6	109.035
H4	C2	H7	109.035	H5	C3	H8	109.035
H5	C3	H9	109.035	H6	C2	H7	109.891
H8	C3	H9	109.891

All results from a given calculation for CH₃SCH₃ (Dimethyl sulfide)

using model chemistry: CCSD=FULL/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 CH3SCH3 (Dimethyl sulfide)

using model chemistry: CCSD=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃SCH₃ (Dimethyl sulfide)