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	hartrees
Energy at 0K	-477.393575
Energy at 298.15K
HF Energy	-476.812492
Nuclear repulsion energy	111.528840

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.664
C2	0.000	1.359	-0.515
C3	0.000	-1.359	-0.515
H4	0.000	2.284	0.054
H5	0.000	-2.284	0.054
H6	0.890	1.326	-1.139
H7	-0.890	1.326	-1.139
H8	-0.890	-1.326	-1.139
H9	0.890	-1.326	-1.139

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.7987	1.7987	2.3645	2.3645	2.4086	2.4086	2.4086	2.4086
C2	1.7987		2.7170	1.0864	3.6869	1.0875	1.0875	2.8963	2.8963
C3	1.7987	2.7170		3.6869	1.0864	2.8963	2.8963	1.0875	1.0875
H4	2.3645	1.0864	3.6869		4.5687	1.7699	1.7699	3.9050	3.9050
H5	2.3645	3.6869	1.0864	4.5687		3.9050	3.9050	1.7699	1.7699
H6	2.4086	1.0875	2.8963	1.7699	3.9050		1.7800	3.1940	2.6521
H7	2.4086	1.0875	2.8963	1.7699	3.9050	1.7800		2.6521	3.1940
H8	2.4086	2.8963	1.0875	3.9050	1.7699	3.1940	2.6521		1.7800
H9	2.4086	2.8963	1.0875	3.9050	1.7699	2.6521	3.1940	1.7800

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.502	S1	C2	H6	110.707
S1	C2	H7	110.707	S1	C3	H5	107.502
S1	C3	H8	110.707	S1	C3	H9	110.707
C2	S1	C3	98.096	H4	C2	H6	109.008
H4	C2	H7	109.008	H5	C3	H8	109.008
H5	C3	H9	109.008	H6	C2	H7	109.846
H8	C3	H9	109.846

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

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 CH3SCH3 (Dimethyl sulfide)

using model chemistry: MP2/aug-cc-pVQZ

States and conformations

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