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	hartrees
Energy at 0K	-475.715706
Energy at 298.15K	-475.720046
HF Energy	-475.475600
Nuclear repulsion energy	96.600089

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3159	3050	10.29
2	A₁	1522	1469	0.44
3	A₁	1141	1102	0.30
4	A₁	1087	1049	10.10
5	A₁	556	536	11.57
6	A₂	3266	3152	0.00
7	A₂	1232	1189	0.00
8	A₂	907	876	0.00
9	B₁	3279	3166	12.77
10	B₁	936	904	5.95
11	B₁	866	836	1.04
12	B₂	3154	3044	13.33
13	B₂	1501	1449	3.64
14	B₂	1112	1074	67.77
15	B₂	571	551	1.96

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.928
C2	0.000	0.754	-0.863
C3	0.000	-0.754	-0.863
H4	-0.926	1.272	-1.125
H5	0.926	1.272	-1.125
H6	0.926	-1.272	-1.125
H7	-0.926	-1.272	-1.125

	S1	C2	C3	H4	H5	H6	H7
S1		1.9436	1.9436	2.5866	2.5866	2.5866	2.5866
C2	1.9436		1.5088	1.0927	1.0927	2.2436	2.2436
C3	1.9436	1.5088		2.2436	2.2436	1.0927	1.0927
H4	2.5866	1.0927	2.2436		1.8517	3.1473	2.5449
H5	2.5866	1.0927	2.2436	1.8517		2.5449	3.1473
H6	2.5866	2.2436	1.0927	3.1473	2.5449		1.8517
H7	2.5866	2.2436	1.0927	2.5449	3.1473	1.8517

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	67.161	S1	C2	H4	113.871
S1	C2	H5	113.871	S1	C3	C2	67.161
S1	C3	H6	113.871	S1	C3	H7	113.871
C2	S1	C3	45.678	C2	C3	H6	118.299
C2	C3	H7	118.299	C3	C2	H4	118.299
C3	C2	H5	118.299	H4	C2	H5	115.838
H6	C3	H7	115.838

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: MP2/SDD

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: MP2/SDD

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)