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	hartrees
Energy at 0K	-477.497161
Energy at 298.15K
HF Energy	-476.803383
Nuclear repulsion energy	111.114278

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.669
C2	0.000	1.363	-0.519
C3	0.000	-1.363	-0.519
H4	0.000	2.291	0.048
H5	0.000	-2.291	0.048
H6	0.892	1.326	-1.142
H7	-0.892	1.326	-1.142
H8	-0.892	-1.326	-1.142
H9	0.892	-1.326	-1.142

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8080	1.8080	2.3737	2.3737	2.4152	2.4152	2.4152	2.4152
C2	1.8080		2.7264	1.0877	3.6981	1.0886	1.0886	2.9008	2.9008
C3	1.8080	2.7264		3.6981	1.0877	2.9008	2.9008	1.0886	1.0886
H4	2.3737	1.0877	3.6981		4.5823	1.7734	1.7734	3.9110	3.9110
H5	2.3737	3.6981	1.0877	4.5823		3.9110	3.9110	1.7734	1.7734
H6	2.4152	1.0886	2.9008	1.7734	3.9110		1.7830	3.1955	2.6517
H7	2.4152	1.0886	2.9008	1.7734	3.9110	1.7830		2.6517	3.1955
H8	2.4152	2.9008	1.0886	3.9110	1.7734	3.1955	2.6517		1.7830
H9	2.4152	2.9008	1.0886	3.9110	1.7734	2.6517	3.1955	1.7830

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.493	S1	C2	H6	110.512
S1	C2	H7	110.512	S1	C3	H5	107.493
S1	C3	H8	110.512	S1	C3	H9	110.512
C2	S1	C3	97.870	H4	C2	H6	109.149
H4	C2	H7	109.149	H5	C3	H8	109.149
H5	C3	H9	109.149	H6	C2	H7	109.969
H8	C3	H9	109.969

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

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

States and conformations

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