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	hartrees
Energy at 0K	-477.455102
Energy at 298.15K
HF Energy	-476.812366
Nuclear repulsion energy	111.029164

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.666
C2	0.000	1.368	-0.516
C3	0.000	-1.368	-0.516
H4	0.000	2.294	0.057
H5	0.000	-2.294	0.057
H6	0.892	1.336	-1.142
H7	-0.892	1.336	-1.142
H8	-0.892	-1.336	-1.142
H9	0.892	-1.336	-1.142

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8075	1.8075	2.3733	2.3733	2.4183	2.4183	2.4183	2.4183
C2	1.8075		2.7353	1.0891	3.7060	1.0903	1.0903	2.9150	2.9150
C3	1.8075	2.7353		3.7060	1.0891	2.9150	2.9150	1.0903	1.0903
H4	2.3733	1.0891	3.7060		4.5877	1.7749	1.7749	3.9254	3.9254
H5	2.3733	3.7060	1.0891	4.5877		3.9254	3.9254	1.7749	1.7749
H6	2.4183	1.0903	2.9150	1.7749	3.9254		1.7847	3.2132	2.6720
H7	2.4183	1.0903	2.9150	1.7749	3.9254	1.7847		2.6720	3.2132
H8	2.4183	2.9150	1.0903	3.9254	1.7749	3.2132	2.6720		1.7847
H9	2.4183	2.9150	1.0903	3.9254	1.7749	2.6720	3.2132	1.7847

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.430	S1	C2	H6	110.688
S1	C2	H7	110.688	S1	C3	H5	107.430
S1	C3	H8	110.688	S1	C3	H9	110.688
C2	S1	C3	98.337	H4	C2	H6	109.061
H4	C2	H7	109.061	H5	C3	H8	109.061
H5	C3	H9	109.061	H6	C2	H7	109.852
H8	C3	H9	109.852

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

using model chemistry: CCSD(T)/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 CH3SCH3 (Dimethyl sulfide)

using model chemistry: CCSD(T)/aug-cc-pVQZ

States and conformations

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