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	hartrees
Energy at 0K	-477.501229
Energy at 298.15K
HF Energy	-476.803535
Nuclear repulsion energy	111.095028

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		1.8082	1.8082	2.3733	2.3733	2.4158	2.4158	2.4158	2.4158
C2	1.8082		2.7286	1.0875	3.6996	1.0884	1.0884	2.9039	2.9039
C3	1.8082	2.7286		3.6996	1.0875	2.9039	2.9039	1.0884	1.0884
H4	2.3733	1.0875	3.6996		4.5828	1.7729	1.7729	3.9137	3.9137
H5	2.3733	3.6996	1.0875	4.5828		3.9137	3.9137	1.7729	1.7729
H6	2.4158	1.0884	2.9039	1.7729	3.9137		1.7828	3.1992	2.6564
H7	2.4158	1.0884	2.9039	1.7729	3.9137	1.7828		2.6564	3.1992
H8	2.4158	2.9039	1.0884	3.9137	1.7729	3.1992	2.6564		1.7828
H9	2.4158	2.9039	1.0884	3.9137	1.7729	2.6564	3.1992	1.7828

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.464	S1	C2	H6	110.547
S1	C2	H7	110.547	S1	C3	H5	107.464
S1	C3	H8	110.547	S1	C3	H9	110.547
C2	S1	C3	97.960	H4	C2	H6	109.130
H4	C2	H7	109.130	H5	C3	H8	109.130
H5	C3	H9	109.130	H6	C2	H7	109.966
H8	C3	H9	109.966

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

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

States and conformations

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