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	hartrees
Energy at 0K	-476.145953
Energy at 298.15K	-476.150473
HF Energy	-475.582860
Nuclear repulsion energy	101.312094

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3178	3010	11.22
2	A₁	1540	1459	3.78
3	A₁	1181	1118	2.65
4	A₁	1094	1036	1.11
5	A₁	676	640	20.77
6	A₂	3270	3097	0.00
7	A₂	1220	1156	0.00
8	A₂	954	903	0.00
9	B₁	3283	3109	4.75
10	B₁	1006	952	11.75
11	B₁	866	820	0.43
12	B₂	3175	3007	8.93
13	B₂	1510	1430	1.10
14	B₂	1123	1063	48.92
15	B₂	705	668	1.85

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.863
C2	0.000	0.741	-0.793
C3	0.000	-0.741	-0.793
H4	-0.916	1.248	-1.073
H5	0.916	1.248	-1.073
H6	0.916	-1.248	-1.073
H7	-0.916	-1.248	-1.073

	S1	C2	C3	H4	H5	H6	H7
S1		1.8146	1.8146	2.4796	2.4796	2.4796	2.4796
C2	1.8146		1.4823	1.0841	1.0841	2.2081	2.2081
C3	1.8146	1.4823		2.2081	2.2081	1.0841	1.0841
H4	2.4796	1.0841	2.2081		1.8326	3.0968	2.4964
H5	2.4796	1.0841	2.2081	1.8326		2.4964	3.0968
H6	2.4796	2.2081	1.0841	3.0968	2.4964		1.8326
H7	2.4796	2.2081	1.0841	2.4964	3.0968	1.8326

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	65.892	S1	C2	H4	115.284
S1	C2	H5	115.284	S1	C3	C2	65.892
S1	C3	H6	115.284	S1	C3	H7	115.284
C2	S1	C3	48.216	C2	C3	H6	117.885
C2	C3	H7	117.885	C3	C2	H4	117.885
C3	C2	H5	117.885	H4	C2	H5	115.387
H6	C3	H7	115.387

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: MP2=FULL/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: MP2=FULL/6-311G*

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)