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	hartrees
Energy at 0K	-476.249470
Energy at 298.15K	-476.253938
HF Energy	-475.610943
Nuclear repulsion energy	101.238690

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3166	3033
2	A₁	1512	1449
3	A₁	1151	1103
4	A₁	1057	1013
5	A₁	648	621
6	A₂	3228	3093
7	A₂	1205	1155
8	A₂	907	869
9	B₁	3243	3107
10	B₁	969	928
11	B₁	838	803
12	B₂	3162	3029
13	B₂	1487	1425
14	B₂	1083	1038
15	B₂	686	658

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.866
C2	0.000	0.741	-0.797
C3	0.000	-0.741	-0.797
H4	-0.912	1.245	-1.071
H5	0.912	1.245	-1.071
H6	0.912	-1.245	-1.071
H7	-0.912	-1.245	-1.071

	S1	C2	C3	H4	H5	H6	H7
S1		1.8207	1.8207	2.4765	2.4765	2.4765	2.4765
C2	1.8207		1.4815	1.0776	1.0776	2.2024	2.2024
C3	1.8207	1.4815		2.2024	2.2024	1.0776	1.0776
H4	2.4765	1.0776	2.2024		1.8242	3.0870	2.4904
H5	2.4765	1.0776	2.2024	1.8242		2.4904	3.0870
H6	2.4765	2.2024	1.0776	3.0870	2.4904		1.8242
H7	2.4765	2.2024	1.0776	2.4904	3.0870	1.8242

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	65.993	S1	C2	H4	114.978
S1	C2	H5	114.978	S1	C3	C2	65.993
S1	C3	H6	114.978	S1	C3	H7	114.978
C2	S1	C3	48.014	C2	C3	H6	117.913
C2	C3	H7	117.913	C3	C2	H4	117.913
C3	C2	H5	117.913	H4	C2	H5	115.653
H6	C3	H7	115.653

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: CCSD(T)=FULL/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 C2H4S (Thiirane)

using model chemistry: CCSD(T)=FULL/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)