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	hartrees
Energy at 0K	-476.064827
Energy at 298.15K	-476.069224
HF Energy	-475.576508
Nuclear repulsion energy	99.596345

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3128	3128
2	A₁	1483	1483
3	A₁	1133	1133
4	A₁	1027	1027
5	A₁	621	621
6	A₂	3216	3216
7	A₂	1182	1182
8	A₂	877	877
9	B₁	3232	3232
10	B₁	938	938
11	B₁	820	820
12	B₂	3123	3123
13	B₂	1450	1450
14	B₂	1045	1045
15	B₂	637	637

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.882
C2	0.000	0.748	-0.815
C3	0.000	-0.748	-0.815
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		1.8549	1.8549	2.5146	2.5146	2.5146	2.5146
C2	1.8549		1.4961	1.0948	1.0948	2.2312	2.2312
C3	1.8549	1.4961		2.2312	2.2312	1.0948	1.0948
H4	2.5146	1.0948	2.2312		1.8557	3.1345	2.5262
H5	2.5146	1.0948	2.2312	1.8557		2.5262	3.1345
H6	2.5146	2.2312	1.0948	3.1345	2.5262		1.8557
H7	2.5146	2.2312	1.0948	2.5262	3.1345	1.8557

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	66.216	S1	C2	H4	114.498
S1	C2	H5	114.498	S1	C3	C2	66.216
S1	C3	H6	114.498	S1	C3	H7	114.498
C2	S1	C3	47.568	C2	C3	H6	118.064
C2	C3	H7	118.064	C3	C2	H4	118.064
C3	C2	H5	118.064	H4	C2	H5	115.880
H6	C3	H7	115.880

All results from a given calculation for C₂H₄S (Thiirane)

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

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)