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	hartrees
Energy at 0K	-476.182128
Energy at 298.15K	-476.186576
HF Energy	-475.610515
Nuclear repulsion energy	100.807179

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3142	2981
2	A₁	1503	1426
3	A₁	1140	1082
4	A₁	1049	995
5	A₁	638	606
6	A₂	3224	3059
7	A₂	1200	1138
8	A₂	905	858
9	B₁	3238	3071
10	B₁	961	912
11	B₁	834	791
12	B₂	3139	2977
13	B₂	1478	1402
14	B₂	1073	1017
15	B₂	674	640

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.870
C2	0.000	0.743	-0.801
C3	0.000	-0.743	-0.801
H4	-0.916	1.251	-1.075
H5	0.916	1.251	-1.075
H6	0.916	-1.251	-1.075
H7	-0.916	-1.251	-1.075

	S1	C2	C3	H4	H5	H6	H7
S1		1.8289	1.8289	2.4872	2.4872	2.4872	2.4872
C2	1.8289		1.4862	1.0823	1.0823	2.2113	2.2113
C3	1.8289	1.4862		2.2113	2.2113	1.0823	1.0823
H4	2.4872	1.0823	2.2113		1.8313	3.1006	2.5020
H5	2.4872	1.0823	2.2113	1.8313		2.5020	3.1006
H6	2.4872	2.2113	1.0823	3.1006	2.5020		1.8313
H7	2.4872	2.2113	1.0823	2.5020	3.1006	1.8313

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	66.027	S1	C2	H4	114.947
S1	C2	H5	114.947	S1	C3	C2	66.027
S1	C3	H6	114.947	S1	C3	H7	114.947
C2	S1	C3	47.946	C2	C3	H6	117.988
C2	C3	H7	117.988	C3	C2	H4	117.988
C3	C2	H5	117.988	H4	C2	H5	115.569
H6	C3	H7	115.569

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: QCISD(T)/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: QCISD(T)/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)