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	hartrees
Energy at 0K	-477.418583
Energy at 298.15K
HF Energy	-476.803169
Nuclear repulsion energy	110.688821

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.670
C2	0.000	1.371	-0.520
C3	0.000	-1.371	-0.520
H4	0.000	2.299	0.052
H5	0.000	-2.299	0.052
H6	0.894	1.335	-1.145
H7	-0.894	1.335	-1.145
H8	-0.894	-1.335	-1.145
H9	0.894	-1.335	-1.145

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8153	1.8153	2.3803	2.3803	2.4240	2.4240	2.4240	2.4240
C2	1.8153		2.7415	1.0904	3.7139	1.0915	1.0915	2.9171	2.9171
C3	1.8153	2.7415		3.7139	1.0904	2.9171	2.9171	1.0915	1.0915
H4	2.3803	1.0904	3.7139		4.5976	1.7785	1.7785	3.9288	3.9288
H5	2.3803	3.7139	1.0904	4.5976		3.9288	3.9288	1.7785	1.7785
H6	2.4240	1.0915	2.9171	1.7785	3.9288		1.7881	3.2129	2.6694
H7	2.4240	1.0915	2.9171	1.7785	3.9288	1.7881		2.6694	3.2129
H8	2.4240	2.9171	1.0915	3.9288	1.7785	3.2129	2.6694		1.7881
H9	2.4240	2.9171	1.0915	3.9288	1.7785	2.6694	3.2129	1.7881

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.371	S1	C2	H6	110.518
S1	C2	H7	110.518	S1	C3	H5	107.371
S1	C3	H8	110.518	S1	C3	H9	110.518
C2	S1	C3	98.072	H4	C2	H6	109.197
H4	C2	H7	109.197	H5	C3	H8	109.197
H5	C3	H9	109.197	H6	C2	H7	109.984
H8	C3	H9	109.984

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

using model chemistry: CCSD(T)/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: CCSD(T)/aug-cc-pVTZ

States and conformations

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