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	hartrees
Energy at 0K	-475.985456
Energy at 298.15K	-475.989962
HF Energy	-475.577819
Nuclear repulsion energy	100.702617

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3226	3226	13.45
2	A₁	1540	1540	2.50
3	A₁	1183	1183	2.85
4	A₁	1075	1075	0.21
5	A₁	664	664	29.04
6	A₂	3313	3313	0.00
7	A₂	1227	1227	0.00
8	A₂	917	917	0.00
9	B₁	3328	3328	3.09
10	B₁	984	984	2.25
11	B₁	850	850	0.42
12	B₂	3219	3219	9.98
13	B₂	1503	1503	0.40
14	B₂	1106	1106	22.39
15	B₂	700	700	0.72

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.870
C2	0.000	0.743	-0.802
C3	0.000	-0.743	-0.802
H4	-0.919	1.254	-1.075
H5	0.919	1.254	-1.075
H6	0.919	-1.254	-1.075
H7	-0.919	-1.254	-1.075

	S1	C2	C3	H4	H5	H6	H7
S1		1.8302	1.8302	2.4903	2.4903	2.4903	2.4903
C2	1.8302		1.4852	1.0865	1.0865	2.2149	2.2149
C3	1.8302	1.4852		2.2149	2.2149	1.0865	1.0865
H4	2.4903	1.0865	2.2149		1.8381	3.1095	2.5081
H5	2.4903	1.0865	2.2149	1.8381		2.5081	3.1095
H6	2.4903	2.2149	1.0865	3.1095	2.5081		1.8381
H7	2.4903	2.2149	1.0865	2.5081	3.1095	1.8381

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	66.061	S1	C2	H4	114.854
S1	C2	H5	114.854	S1	C3	C2	66.061
S1	C3	H6	114.854	S1	C3	H7	114.854
C2	S1	C3	47.879	C2	C3	H6	118.079
C2	C3	H7	118.079	C3	C2	H4	118.079
C3	C2	H5	118.079	H4	C2	H5	115.532
H6	C3	H7	115.532

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: CID/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: CID/daug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)