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	hartrees
Energy at 0K	-476.273073
Energy at 298.15K
HF Energy	-475.612164
Nuclear repulsion energy	101.200540

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3036	3036
2	A₁	1452	1452
3	A₁	1135	1135
4	A₁	641	641
5	A₁	556i	556i
6	A₂	3016	3016
7	A₂	856	856
8	A₂	859i	859i
9	B₁	3174	3174
10	B₁	415	415
11	B₁	502i	502i
12	B₂	2928	2928
13	B₂	1646	1646
14	B₂	668	668
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	-1.070
H5	0.914	1.245	-1.070
H6	0.914	-1.245	-1.070
H7	-0.914	-1.245	-1.070

	S1	C2	C3	H4	H5	H6	H7
S1		1.8213	1.8213	2.4769	2.4769	2.4769	2.4769
C2	1.8213		1.4813	1.0789	1.0789	2.2029	2.2029
C3	1.8213	1.4813		2.2029	2.2029	1.0789	1.0789
H4	2.4769	1.0789	2.2029		1.8281	3.0891	2.4901
H5	2.4769	1.0789	2.2029	1.8281		2.4901	3.0891
H6	2.4769	2.2029	1.0789	3.0891	2.4901		1.8281
H7	2.4769	2.2029	1.0789	2.4901	3.0891	1.8281

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	66.005	S1	C2	H4	114.882
S1	C2	H5	114.882	S1	C3	C2	66.005
S1	C3	H6	114.882	S1	C3	H7	114.882
C2	S1	C3	47.990	C2	C3	H6	117.871
C2	C3	H7	117.871	C3	C2	H4	117.871
C3	C2	H5	117.871	H4	C2	H5	115.813
H6	C3	H7	115.813

All results from a given calculation for C₂H₄S (Thiirane)

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

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)