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	hartrees
Energy at 0K	-477.395635
Energy at 298.15K
HF Energy	-476.803534
Nuclear repulsion energy	110.892497

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		1.8105	1.8105	2.3756	2.3756	2.4204	2.4204	2.4204	2.4204
C2	1.8105		2.7422	1.0887	3.7121	1.0898	1.0898	2.9215	2.9215
C3	1.8105	2.7422		3.7121	1.0887	2.9215	2.9215	1.0898	1.0898
H4	2.3756	1.0887	3.7121		4.5927	1.7744	1.7744	3.9312	3.9312
H5	2.3756	3.7121	1.0887	4.5927		3.9312	3.9312	1.7744	1.7744
H6	2.4204	1.0898	2.9215	1.7744	3.9312		1.7841	3.2190	2.6794
H7	2.4204	1.0898	2.9215	1.7744	3.9312	1.7841		2.6794	3.2190
H8	2.4204	2.9215	1.0898	3.9312	1.7744	3.2190	2.6794		1.7841
H9	2.4204	2.9215	1.0898	3.9312	1.7744	2.6794	3.2190	1.7841

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.420	S1	C2	H6	110.663
S1	C2	H7	110.663	S1	C3	H5	107.420
S1	C3	H8	110.663	S1	C3	H9	110.663
C2	S1	C3	98.453	H4	C2	H6	109.080
H4	C2	H7	109.080	H5	C3	H8	109.080
H5	C3	H9	109.080	H6	C2	H7	109.876
H8	C3	H9	109.876

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

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

States and conformations

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