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	hartrees
Energy at 0K	-476.065134
Energy at 298.15K	-476.069528
HF Energy	-475.576461
Nuclear repulsion energy	99.559681

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3127	3127
2	A₁	1482	1482
3	A₁	1132	1132
4	A₁	1026	1026
5	A₁	619	619
6	A₂	3215	3215
7	A₂	1181	1181
8	A₂	877	877
9	B₁	3231	3231
10	B₁	937	937
11	B₁	820	820
12	B₂	3122	3122
13	B₂	1450	1450
14	B₂	1044	1044
15	B₂	635	635

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.883
C2	0.000	0.748	-0.816
C3	0.000	-0.748	-0.816
H4	-0.928	1.263	-1.084
H5	0.928	1.263	-1.084
H6	0.928	-1.263	-1.084
H7	-0.928	-1.263	-1.084

	S1	C2	C3	H4	H5	H6	H7
S1		1.8559	1.8559	2.5153	2.5153	2.5153	2.5153
C2	1.8559		1.4963	1.0949	1.0949	2.2315	2.2315
C3	1.8559	1.4963		2.2315	2.2315	1.0949	1.0949
H4	2.5153	1.0949	2.2315		1.8559	3.1351	2.5267
H5	2.5153	1.0949	2.2315	1.8559		2.5267	3.1351
H6	2.5153	2.2315	1.0949	3.1351	2.5267		1.8559
H7	2.5153	2.2315	1.0949	2.5267	3.1351	1.8559

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	66.226	S1	C2	H4	114.474
S1	C2	H5	114.474	S1	C3	C2	66.226
S1	C3	H6	114.474	S1	C3	H7	114.474
C2	S1	C3	47.547	C2	C3	H6	118.071
C2	C3	H7	118.071	C3	C2	H4	118.071
C3	C2	H5	118.071	H4	C2	H5	115.893
H6	C3	H7	115.893

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: QCISD(T)/daug-cc-pVDZ

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)/daug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)