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	hartrees
Energy at 0K	-475.990036
Energy at 298.15K	-475.994575
HF Energy	-475.553277
Nuclear repulsion energy	101.306091

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3246	3020	10.60
2	A₁	1574	1465	5.72
3	A₁	1195	1112	4.12
4	A₁	1103	1026	0.35
5	A₁	684	637	21.55
6	A₂	3330	3099	0.00
7	A₂	1242	1156	0.00
8	A₂	953	886	0.00
9	B₁	3343	3110	7.53
10	B₁	1013	943	4.35
11	B₁	870	809	0.16
12	B₂	3241	3016	11.60
13	B₂	1544	1436	0.00
14	B₂	1137	1058	34.32
15	B₂	716	667	1.37

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.865
C2	0.000	0.741	-0.793
C3	0.000	-0.741	-0.793
H4	-0.910	1.246	-1.083
H5	0.910	1.246	-1.083
H6	0.910	-1.246	-1.083
H7	-0.910	-1.246	-1.083

	S1	C2	C3	H4	H5	H6	H7
S1		1.8164	1.8164	2.4848	2.4848	2.4848	2.4848
C2	1.8164		1.4822	1.0799	1.0799	2.2043	2.2043
C3	1.8164	1.4822		2.2043	2.2043	1.0799	1.0799
H4	2.4848	1.0799	2.2043		1.8196	3.0852	2.4915
H5	2.4848	1.0799	2.2043	1.8196		2.4915	3.0852
H6	2.4848	2.2043	1.0799	3.0852	2.4915		1.8196
H7	2.4848	2.2043	1.0799	2.4915	3.0852	1.8196

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	65.921	S1	C2	H4	115.818
S1	C2	H5	115.818	S1	C3	C2	65.921
S1	C3	H6	115.818	S1	C3	H7	115.818
C2	S1	C3	48.157	C2	C3	H6	117.860
C2	C3	H7	117.860	C3	C2	H4	117.860
C3	C2	H5	117.860	H4	C2	H5	114.796
H6	C3	H7	114.796

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: MP3/6-31+G**

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: MP3/6-31+G**

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)