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	hartrees
Energy at 0K	-476.176965
Energy at 298.15K	-476.181494
HF Energy	-475.589590
Nuclear repulsion energy	101.407678

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3183	3019	11.17
2	A₁	1529	1450	4.77
3	A₁	1179	1118	3.30
4	A₁	1090	1034	0.39
5	A₁	680	645	20.06
6	A₂	3273	3105	0.00
7	A₂	1209	1147	0.00
8	A₂	953	904	0.00
9	B₁	3286	3117	5.04
10	B₁	1007	955	9.80
11	B₁	860	816	0.15
12	B₂	3180	3016	8.68
13	B₂	1499	1422	0.36
14	B₂	1126	1068	44.32
15	B₂	710	674	1.99

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.862
C2	0.000	0.742	-0.791
C3	0.000	-0.742	-0.791
H4	-0.917	1.246	-1.074
H5	0.917	1.246	-1.074
H6	0.917	-1.246	-1.074
H7	-0.917	-1.246	-1.074

	S1	C2	C3	H4	H5	H6	H7
S1		1.8114	1.8114	2.4781	2.4781	2.4781	2.4781
C2	1.8114		1.4838	1.0842	1.0842	2.2077	2.2077
C3	1.8114	1.4838		2.2077	2.2077	1.0842	1.0842
H4	2.4781	1.0842	2.2077		1.8338	3.0945	2.4927
H5	2.4781	1.0842	2.2077	1.8338		2.4927	3.0945
H6	2.4781	2.2077	1.0842	3.0945	2.4927		1.8338
H7	2.4781	2.2077	1.0842	2.4927	3.0945	1.8338

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	65.821	S1	C2	H4	115.402
S1	C2	H5	115.402	S1	C3	C2	65.821
S1	C3	H6	115.402	S1	C3	H7	115.402
C2	S1	C3	48.358	C2	C3	H6	117.728
C2	C3	H7	117.728	C3	C2	H4	117.728
C3	C2	H5	117.728	H4	C2	H5	115.496
H6	C3	H7	115.496

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)