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	hartrees
Energy at 0K	-477.394916
Energy at 298.15K
HF Energy	-476.803551
Nuclear repulsion energy	110.914547

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.666
C2	0.000	1.371	-0.517
C3	0.000	-1.371	-0.517
H4	0.000	2.296	0.057
H5	0.000	-2.296	0.057
H6	0.892	1.340	-1.142
H7	-0.892	1.340	-1.142
H8	-0.892	-1.340	-1.142
H9	0.892	-1.340	-1.142

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8102	1.8102	2.3751	2.3751	2.4199	2.4199	2.4199	2.4199
C2	1.8102		2.7417	1.0885	3.7114	1.0896	1.0896	2.9210	2.9210
C3	1.8102	2.7417		3.7114	1.0885	2.9210	2.9210	1.0896	1.0896
H4	2.3751	1.0885	3.7114		4.5918	1.7740	1.7740	3.9305	3.9305
H5	2.3751	3.7114	1.0885	4.5918		3.9305	3.9305	1.7740	1.7740
H6	2.4199	1.0896	2.9210	1.7740	3.9305		1.7837	3.2185	2.6791
H7	2.4199	1.0896	2.9210	1.7740	3.9305	1.7837		2.6791	3.2185
H8	2.4199	2.9210	1.0896	3.9305	1.7740	3.2185	2.6791		1.7837
H9	2.4199	2.9210	1.0896	3.9305	1.7740	2.6791	3.2185	1.7837

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.419	S1	C2	H6	110.665
S1	C2	H7	110.665	S1	C3	H5	107.419
S1	C3	H8	110.665	S1	C3	H9	110.665
C2	S1	C3	98.455	H4	C2	H6	109.077
H4	C2	H7	109.077	H5	C3	H8	109.077
H5	C3	H9	109.077	H6	C2	H7	109.877
H8	C3	H9	109.877

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

using model chemistry: CCSD/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/daug-cc-pVTZ

States and conformations

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