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	hartrees
Energy at 0K	-475.976444
Energy at 298.15K	-475.980922
HF Energy	-475.545855
Nuclear repulsion energy	100.697618

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3157	3037
2	A₁	1544	1486
3	A₁	1172	1128
4	A₁	1082	1041
5	A₁	660	635
6	A₂	3235	3113
7	A₂	1220	1173
8	A₂	935	900
9	B₁	3248	3125
10	B₁	993	955
11	B₁	857	825
12	B₂	3153	3033
13	B₂	1515	1458
14	B₂	1108	1066
15	B₂	685	659

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.870
C2	0.000	0.744	-0.798
C3	0.000	-0.744	-0.798
H4	-0.917	1.257	-1.085
H5	0.917	1.257	-1.085
H6	0.917	-1.257	-1.085
H7	-0.917	-1.257	-1.085

	S1	C2	C3	H4	H5	H6	H7
S1		1.8267	1.8267	2.4987	2.4987	2.4987	2.4987
C2	1.8267		1.4879	1.0892	1.0892	2.2194	2.2194
C3	1.8267	1.4879		2.2194	2.2194	1.0892	1.0892
H4	2.4987	1.0892	2.2194		1.8344	3.1115	2.5132
H5	2.4987	1.0892	2.2194	1.8344		2.5132	3.1115
H6	2.4987	2.2194	1.0892	3.1115	2.5132		1.8344
H7	2.4987	2.2194	1.0892	2.5132	3.1115	1.8344

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	65.967	S1	C2	H4	115.611
S1	C2	H5	115.611	S1	C3	C2	65.967
S1	C3	H6	115.611	S1	C3	H7	115.611
C2	S1	C3	48.065	C2	C3	H6	118.079
C2	C3	H7	118.079	C3	C2	H4	118.079
C3	C2	H5	118.079	H4	C2	H5	114.718
H6	C3	H7	114.718

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: CCSD(T)/6-31G*

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)/6-31G*

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)