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	hartrees
Energy at 0K	-476.382405
Energy at 298.15K	-476.386868
HF Energy	-475.604747
Nuclear repulsion energy	101.342304

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3144	3144
2	A₁	1508	1508
3	A₁	1149	1149
4	A₁	1051	1051
5	A₁	649	649
6	A₂	3228	3228
7	A₂	1199	1199
8	A₂	909	909
9	B₁	3242	3242
10	B₁	969	969
11	B₁	836	836
12	B₂	3140	3140
13	B₂	1480	1480
14	B₂	1081	1081
15	B₂	687	687

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.863
C2	0.000	0.741	-0.794
C3	0.000	-0.741	-0.794
H4	-0.914	1.249	-1.071
H5	0.914	1.249	-1.071
H6	0.914	-1.249	-1.071
H7	-0.914	-1.249	-1.071

	S1	C2	C3	H4	H5	H6	H7
S1		1.8147	1.8147	2.4770	2.4770	2.4770	2.4770
C2	1.8147		1.4827	1.0819	1.0819	2.2079	2.2079
C3	1.8147	1.4827		2.2079	2.2079	1.0819	1.0819
H4	2.4770	1.0819	2.2079		1.8286	3.0959	2.4981
H5	2.4770	1.0819	2.2079	1.8286		2.4981	3.0959
H6	2.4770	2.2079	1.0819	3.0959	2.4981		1.8286
H7	2.4770	2.2079	1.0819	2.4981	3.0959	1.8286

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	65.888	S1	C2	H4	115.193
S1	C2	H5	115.193	S1	C3	C2	65.888
S1	C3	H6	115.193	S1	C3	H7	115.193
C2	S1	C3	48.225	C2	C3	H6	117.985
C2	C3	H7	117.985	C3	C2	H4	117.985
C3	C2	H5	117.985	H4	C2	H5	115.353
H6	C3	H7	115.353

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: CCSD(T)=FULL/6-311+G(3df,2p)

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/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)