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	hartrees
Energy at 0K	-477.541802
Energy at 298.15K
HF Energy	-476.812296
Nuclear repulsion energy	111.496560

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.661
C2	0.000	1.364	-0.512
C3	0.000	-1.364	-0.512
H4	0.000	2.285	0.060
H5	0.000	-2.285	0.060
H6	0.888	1.337	-1.136
H7	-0.888	1.337	-1.136
H8	-0.888	-1.337	-1.136
H9	0.888	-1.337	-1.136

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.7991	1.7991	2.3631	2.3631	2.4092	2.4092	2.4092	2.4092
C2	1.7991		2.7285	1.0842	3.6941	1.0853	1.0853	2.9112	2.9112
C3	1.7991	2.7285		3.6941	1.0842	2.9112	2.9112	1.0853	1.0853
H4	2.3631	1.0842	3.6941		4.5707	1.7654	1.7654	3.9167	3.9167
H5	2.3631	3.6941	1.0842	4.5707		3.9167	3.9167	1.7654	1.7654
H6	2.4092	1.0853	2.9112	1.7654	3.9167		1.7755	3.2101	2.6744
H7	2.4092	1.0853	2.9112	1.7654	3.9167	1.7755		2.6744	3.2101
H8	2.4092	2.9112	1.0853	3.9167	1.7654	3.2101	2.6744		1.7755
H9	2.4092	2.9112	1.0853	3.9167	1.7654	2.6744	3.2101	1.7755

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.485	S1	C2	H6	110.842
S1	C2	H7	110.842	S1	C3	H5	107.485
S1	C3	H8	110.842	S1	C3	H9	110.842
C2	S1	C3	98.627	H4	C2	H6	108.922
H4	C2	H7	108.922	H5	C3	H8	108.922
H5	C3	H9	108.922	H6	C2	H7	109.762
H8	C3	H9	109.762

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

using model chemistry: CCSD=FULL/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=FULL/cc-pVQZ

States and conformations

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