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	hartrees
Energy at 0K	-476.155854
Energy at 298.15K	-476.160347
HF Energy	-475.610912
Nuclear repulsion energy	101.224049

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3193	3016	10.56
2	A₁	1525	1440	2.57
3	A₁	1161	1097	2.00
4	A₁	1067	1008	0.98
5	A₁	660	623	22.40
6	A₂	3276	3094	0.00
7	A₂	1217	1150	0.00
8	A₂	919	868	0.00
9	B₁	3289	3107	3.10
10	B₁	978	924	3.00
11	B₁	846	799	0.30
12	B₂	3189	3012	9.28
13	B₂	1497	1414	0.58
14	B₂	1096	1035	25.16
15	B₂	701	663	1.02

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.865
C2	0.000	0.741	-0.797
C3	0.000	-0.741	-0.797
H4	-0.912	1.247	-1.071
H5	0.912	1.247	-1.071
H6	0.912	-1.247	-1.071
H7	-0.912	-1.247	-1.071

	S1	C2	C3	H4	H5	H6	H7
S1		1.8201	1.8201	2.4773	2.4773	2.4773	2.4773
C2	1.8201		1.4829	1.0784	1.0784	2.2048	2.2048
C3	1.8201	1.4829		2.2048	2.2048	1.0784	1.0784
H4	2.4773	1.0784	2.2048		1.8244	3.0900	2.4939
H5	2.4773	1.0784	2.2048	1.8244		2.4939	3.0900
H6	2.4773	2.2048	1.0784	3.0900	2.4939		1.8244
H7	2.4773	2.2048	1.0784	2.4939	3.0900	1.8244

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	65.961	S1	C2	H4	115.033
S1	C2	H5	115.033	S1	C3	C2	65.961
S1	C3	H6	115.033	S1	C3	H7	115.033
C2	S1	C3	48.078	C2	C3	H6	117.956
C2	C3	H7	117.956	C3	C2	H4	117.956
C3	C2	H5	117.956	H4	C2	H5	115.544
H6	C3	H7	115.544

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: MP3/cc-pVTZ

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/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)