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	hartrees
Energy at 0K	-477.576642
Energy at 298.15K
HF Energy	-476.812526
Nuclear repulsion energy	111.299226

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.664
C2	0.000	1.364	-0.515
C3	0.000	-1.364	-0.515
H4	0.000	2.289	0.055
H5	0.000	-2.289	0.055
H6	0.890	1.332	-1.140
H7	-0.890	1.332	-1.140
H8	-0.890	-1.332	-1.140
H9	0.890	-1.332	-1.140

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8030	1.8030	2.3683	2.3683	2.4129	2.4129	2.4129	2.4129
C2	1.8030		2.7272	1.0867	3.6965	1.0879	1.0879	2.9069	2.9069
C3	1.8030	2.7272		3.6965	1.0867	2.9069	2.9069	1.0879	1.0879
H4	2.3683	1.0867	3.6965		4.5773	1.7706	1.7706	3.9154	3.9154
H5	2.3683	3.6965	1.0867	4.5773		3.9154	3.9154	1.7706	1.7706
H6	2.4129	1.0879	2.9069	1.7706	3.9154		1.7807	3.2046	2.6643
H7	2.4129	1.0879	2.9069	1.7706	3.9154	1.7807		2.6643	3.2046
H8	2.4129	2.9069	1.0879	3.9154	1.7706	3.2046	2.6643		1.7807
H9	2.4129	2.9069	1.0879	3.9154	1.7706	2.6643	3.2046	1.7807

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.481	S1	C2	H6	110.710
S1	C2	H7	110.710	S1	C3	H5	107.481
S1	C3	H8	110.710	S1	C3	H9	110.710
C2	S1	C3	98.277	H4	C2	H6	109.018
H4	C2	H7	109.018	H5	C3	H8	109.018
H5	C3	H9	109.018	H6	C2	H7	109.843
H8	C3	H9	109.843

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

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

States and conformations

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