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	hartrees
Energy at 0K	-477.500906
Energy at 298.15K
HF Energy	-476.803541
Nuclear repulsion energy	111.104488

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.668
C2	0.000	1.364	-0.519
C3	0.000	-1.364	-0.519
H4	0.000	2.291	0.050
H5	0.000	-2.291	0.050
H6	0.891	1.328	-1.142
H7	-0.891	1.328	-1.142
H8	-0.891	-1.328	-1.142
H9	0.891	-1.328	-1.142

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8081	1.8081	2.3732	2.3732	2.4156	2.4156	2.4156	2.4156
C2	1.8081		2.7284	1.0874	3.6993	1.0883	1.0883	2.9038	2.9038
C3	1.8081	2.7284		3.6993	1.0874	2.9038	2.9038	1.0883	1.0883
H4	2.3732	1.0874	3.6993		4.5825	1.7727	1.7727	3.9134	3.9134
H5	2.3732	3.6993	1.0874	4.5825		3.9134	3.9134	1.7727	1.7727
H6	2.4156	1.0883	2.9038	1.7727	3.9134		1.7827	3.1990	2.6563
H7	2.4156	1.0883	2.9038	1.7727	3.9134	1.7827		2.6563	3.1990
H8	2.4156	2.9038	1.0883	3.9134	1.7727	3.1990	2.6563		1.7827
H9	2.4156	2.9038	1.0883	3.9134	1.7727	2.6563	3.1990	1.7827

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.467	S1	C2	H6	110.548
S1	C2	H7	110.548	S1	C3	H5	107.467
S1	C3	H8	110.548	S1	C3	H9	110.548
C2	S1	C3	97.962	H4	C2	H6	109.127
H4	C2	H7	109.127	H5	C3	H8	109.127
H5	C3	H9	109.127	H6	C2	H7	109.966
H8	C3	H9	109.966

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

using model chemistry: CCSD(T)=FULL/daug-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(T)=FULL/daug-cc-pVTZ

States and conformations

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