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	hartrees
Energy at 0K	-477.602574
Energy at 298.15K
HF Energy	-476.799102
Nuclear repulsion energy	111.142788

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.666
C2	0.000	1.366	-0.516
C3	0.000	-1.366	-0.516
H4	0.000	2.290	0.056
H5	0.000	-2.290	0.056
H6	0.890	1.336	-1.142
H7	-0.890	1.336	-1.142
H8	-0.890	-1.336	-1.142
H9	0.890	-1.336	-1.142

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8059	1.8059	2.3699	2.3699	2.4175	2.4175	2.4175	2.4175
C2	1.8059		2.7313	1.0873	3.7004	1.0886	1.0886	2.9127	2.9127
C3	1.8059	2.7313		3.7004	1.0873	2.9127	2.9127	1.0886	1.0886
H4	2.3699	1.0873	3.7004		4.5805	1.7715	1.7715	3.9215	3.9215
H5	2.3699	3.7004	1.0873	4.5805		3.9215	3.9215	1.7715	1.7715
H6	2.4175	1.0886	2.9127	1.7715	3.9215		1.7806	3.2111	2.6722
H7	2.4175	1.0886	2.9127	1.7715	3.9215	1.7806		2.6722	3.2111
H8	2.4175	2.9127	1.0886	3.9215	1.7715	3.2111	2.6722		1.7806
H9	2.4175	2.9127	1.0886	3.9215	1.7715	2.6722	3.2111	1.7806

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.378	S1	C2	H6	110.829
S1	C2	H7	110.829	S1	C3	H5	107.378
S1	C3	H8	110.829	S1	C3	H9	110.829
C2	S1	C3	98.265	H4	C2	H6	109.002
H4	C2	H7	109.002	H5	C3	H8	109.002
H5	C3	H9	109.002	H6	C2	H7	109.736
H8	C3	H9	109.736

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

using model chemistry: QCISD(T)=FULL/Def2TZVPP

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/Def2TZVPP

States and conformations

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