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	hartrees
Energy at 0K	-476.342628
Energy at 298.15K
HF Energy	-475.620309
Nuclear repulsion energy	101.383473

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.864
C2	0.000	0.740	-0.795
C3	0.000	-0.740	-0.795
H4	-0.913	1.246	-1.069
H5	0.913	1.246	-1.069
H6	0.913	-1.246	-1.069
H7	-0.913	-1.246	-1.069

	S1	C2	C3	H4	H5	H6	H7
S1		1.8165	1.8165	2.4737	2.4737	2.4737	2.4737
C2	1.8165		1.4795	1.0790	1.0790	2.2024	2.2024
C3	1.8165	1.4795		2.2024	2.2024	1.0790	1.0790
H4	2.4737	1.0790	2.2024		1.8258	3.0890	2.4917
H5	2.4737	1.0790	2.2024	1.8258		2.4917	3.0890
H6	2.4737	2.2024	1.0790	3.0890	2.4917		1.8258
H7	2.4737	2.2024	1.0790	2.4917	3.0890	1.8258

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	65.968	S1	C2	H4	114.982
S1	C2	H5	114.982	S1	C3	C2	65.968
S1	C3	H6	114.982	S1	C3	H7	114.982
C2	S1	C3	48.063	C2	C3	H6	117.973
C2	C3	H7	117.973	C3	C2	H4	117.973
C3	C2	H5	117.973	H4	C2	H5	115.575
H6	C3	H7	115.575

All results from a given calculation for C₂H₄S (Thiirane)

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 C2H4S (Thiirane)

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

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)