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	hartrees
Energy at 0K	-476.069199
Energy at 298.15K	-476.073689
HF Energy	-475.589132
Nuclear repulsion energy	100.788131

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3142	3031
2	A₁	1522	1468
3	A₁	1159	1118
4	A₁	1079	1041
5	A₁	657	633
6	A₂	3225	3111
7	A₂	1204	1162
8	A₂	939	906
9	B₁	3239	3124
10	B₁	995	960
11	B₁	853	823
12	B₂	3138	3028
13	B₂	1492	1440
14	B₂	1115	1075
15	B₂	679	655

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.868
C2	0.000	0.746	-0.797
C3	0.000	-0.746	-0.797
H4	-0.919	1.253	-1.082
H5	0.919	1.253	-1.082
H6	0.919	-1.253	-1.082
H7	-0.919	-1.253	-1.082

	S1	C2	C3	H4	H5	H6	H7
S1		1.8245	1.8245	2.4929	2.4929	2.4929	2.4929
C2	1.8245		1.4920	1.0872	1.0872	2.2180	2.2180
C3	1.8245	1.4920		2.2180	2.2180	1.0872	1.0872
H4	2.4929	1.0872	2.2180		1.8378	3.1070	2.5051
H5	2.4929	1.0872	2.2180	1.8378		2.5051	3.1070
H6	2.4929	2.2180	1.0872	3.1070	2.5051		1.8378
H7	2.4929	2.2180	1.0872	2.5051	3.1070	1.8378

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	65.865	S1	C2	H4	115.437
S1	C2	H5	115.437	S1	C3	C2	65.865
S1	C3	H6	115.437	S1	C3	H7	115.437
C2	S1	C3	48.270	C2	C3	H6	117.770
C2	C3	H7	117.770	C3	C2	H4	117.770
C3	C2	H5	117.770	H4	C2	H5	115.382
H6	C3	H7	115.382

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: CCSD(T)/6-311G**

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)/6-311G**

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)