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	hartrees
Energy at 0K	-476.273416
Energy at 298.15K
HF Energy	-475.612156
Nuclear repulsion energy	101.180804

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3035	3035
2	A₁	1451	1451
3	A₁	1134	1134
4	A₁	640	640
5	A₁	556i	556i
6	A₂	3015	3015
7	A₂	855	855
8	A₂	859i	859i
9	B₁	3173	3173
10	B₁	414	414
11	B₁	503i	503i
12	B₂	2927	2927
13	B₂	1646	1646
14	B₂	667	667
15	B₂	826i	826i

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.866
C2	0.000	0.741	-0.798
C3	0.000	-0.741	-0.798
H4	-0.914	1.245	-1.071
H5	0.914	1.245	-1.071
H6	0.914	-1.245	-1.071
H7	-0.914	-1.245	-1.071

	S1	C2	C3	H4	H5	H6	H7
S1		1.8218	1.8218	2.4773	2.4773	2.4773	2.4773
C2	1.8218		1.4815	1.0790	1.0790	2.2031	2.2031
C3	1.8218	1.4815		2.2031	2.2031	1.0790	1.0790
H4	2.4773	1.0790	2.2031		1.8283	3.0894	2.4903
H5	2.4773	1.0790	2.2031	1.8283		2.4903	3.0894
H6	2.4773	2.2031	1.0790	3.0894	2.4903		1.8283
H7	2.4773	2.2031	1.0790	2.4903	3.0894	1.8283

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	66.008	S1	C2	H4	114.878
S1	C2	H5	114.878	S1	C3	C2	66.008
S1	C3	H6	114.878	S1	C3	H7	114.878
C2	S1	C3	47.984	C2	C3	H6	117.869
C2	C3	H7	117.869	C3	C2	H4	117.869
C3	C2	H5	117.869	H4	C2	H5	115.820
H6	C3	H7	115.820

All results from a given calculation for C₂H₄S (Thiirane)

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

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)