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	hartrees
Energy at 0K	-476.269882
Energy at 298.15K	-476.274332
HF Energy	-475.612055
Nuclear repulsion energy	101.224895

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3158	3158
2	A₁	1504	1504
3	A₁	1144	1144
4	A₁	1047	1047
5	A₁	647	647
6	A₂	3213	3213
7	A₂	1202	1202
8	A₂	882	882
9	B₁	3228	3228
10	B₁	955	955
11	B₁	830	830
12	B₂	3151	3151
13	B₂	1477	1477
14	B₂	1068	1068
15	B₂	683	683

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	-0.914	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		1.8205	1.8205	2.4774	2.4774	2.4774	2.4774
C2	1.8205		1.4812	1.0791	1.0791	2.2029	2.2029
C3	1.8205	1.4812		2.2029	2.2029	1.0791	1.0791
H4	2.4774	1.0791	2.2029		1.8274	3.0887	2.4901
H5	2.4774	1.0791	2.2029	1.8274		2.4901	3.0887
H6	2.4774	2.2029	1.0791	3.0887	2.4901		1.8274
H7	2.4774	2.2029	1.0791	2.4901	3.0887	1.8274

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	65.995	S1	C2	H4	114.977
S1	C2	H5	114.977	S1	C3	C2	65.995
S1	C3	H6	114.977	S1	C3	H7	114.977
C2	S1	C3	48.009	C2	C3	H6	117.871
C2	C3	H7	117.871	C3	C2	H4	117.871
C3	C2	H5	117.871	H4	C2	H5	115.712
H6	C3	H7	115.712

All results from a given calculation for C₂H₄S (Thiirane)

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

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)