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	hartrees
Energy at 0K	-476.013964
Energy at 298.15K	-476.018446
HF Energy	-475.570263
Nuclear repulsion energy	100.392110

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3188	3022	9.45
2	A₁	1512	1433	2.71
3	A₁	1165	1104	3.09
4	A₁	1060	1005	0.49
5	A₁	670	635	20.37
6	A₂	3274	3103	0.00
7	A₂	1204	1141	0.00
8	A₂	907	860	0.00
9	B₁	3288	3116	6.36
10	B₁	971	920	3.70
11	B₁	842	798	0.15
12	B₂	3182	3017	11.12
13	B₂	1477	1400	0.22
14	B₂	1082	1026	25.97
15	B₂	697	660	0.87

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.872
C2	0.000	0.747	-0.801
C3	0.000	-0.747	-0.801
H4	-0.924	1.261	-1.085
H5	0.924	1.261	-1.085
H6	0.924	-1.261	-1.085
H7	-0.924	-1.261	-1.085

	S1	C2	C3	H4	H5	H6	H7
S1		1.8315	1.8315	2.5037	2.5037	2.5037	2.5037
C2	1.8315		1.4940	1.0942	1.0942	2.2279	2.2279
C3	1.8315	1.4940		2.2279	2.2279	1.0942	1.0942
H4	2.5037	1.0942	2.2279		1.8472	3.1253	2.5210
H5	2.5037	1.0942	2.2279	1.8472		2.5210	3.1253
H6	2.5037	2.2279	1.0942	3.1253	2.5210		1.8472
H7	2.5037	2.2279	1.0942	2.5210	3.1253	1.8472

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	65.929	S1	C2	H4	115.359
S1	C2	H5	115.359	S1	C3	C2	65.929
S1	C3	H6	115.359	S1	C3	H7	115.359
C2	S1	C3	48.141	C2	C3	H6	117.989
C2	C3	H7	117.989	C3	C2	H4	117.989
C3	C2	H5	117.989	H4	C2	H5	115.144
H6	C3	H7	115.144

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: MP3/cc-pVDZ

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-pVDZ

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)