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	hartrees
Energy at 0K	-477.570249
Energy at 298.15K
HF Energy	-476.812176
Nuclear repulsion energy	111.277044

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.664
C2	0.000	1.365	-0.515
C3	0.000	-1.365	-0.515
H4	0.000	2.289	0.057
H5	0.000	-2.289	0.057
H6	0.890	1.335	-1.139
H7	-0.890	1.335	-1.139
H8	-0.890	-1.335	-1.139
H9	0.890	-1.335	-1.139

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8035	1.8035	2.3677	2.3677	2.4135	2.4135	2.4135	2.4135
C2	1.8035		2.7299	1.0862	3.6980	1.0874	1.0874	2.9102	2.9102
C3	1.8035	2.7299		3.6980	1.0862	2.9102	2.9102	1.0874	1.0874
H4	2.3677	1.0862	3.6980		4.5772	1.7699	1.7699	3.9179	3.9179
H5	2.3677	3.6980	1.0862	4.5772		3.9179	3.9179	1.7699	1.7699
H6	2.4135	1.0874	2.9102	1.7699	3.9179		1.7794	3.2080	2.6693
H7	2.4135	1.0874	2.9102	1.7699	3.9179	1.7794		2.6693	3.2080
H8	2.4135	2.9102	1.0874	3.9179	1.7699	3.2080	2.6693		1.7794
H9	2.4135	2.9102	1.0874	3.9179	1.7699	2.6693	3.2080	1.7794

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.431	S1	C2	H6	110.749
S1	C2	H7	110.749	S1	C3	H5	107.431
S1	C3	H8	110.749	S1	C3	H9	110.749
C2	S1	C3	98.372	H4	C2	H6	109.024
H4	C2	H7	109.024	H5	C3	H8	109.024
H5	C3	H9	109.024	H6	C2	H7	109.800
H8	C3	H9	109.800

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

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

States and conformations

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