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	hartrees
Energy at 0K	-476.261403
Energy at 298.15K	-476.265903
HF Energy	-475.613040
Nuclear repulsion energy	101.882457

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3194	3028	9.88
2	A₁	1514	1436	2.82
3	A₁	1167	1107	1.34
4	A₁	1061	1006	1.65
5	A₁	668	634	18.66
6	A₂	3267	3098	0.00
7	A₂	1206	1143	0.00
8	A₂	920	872	0.00
9	B₁	3281	3111	1.37
10	B₁	978	927	3.57
11	B₁	843	799	0.32
12	B₂	3191	3026	7.36
13	B₂	1491	1414	0.68
14	B₂	1084	1028	25.30
15	B₂	715	678	1.07

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.858
C2	0.000	0.738	-0.790
C3	0.000	-0.738	-0.790
H4	-0.911	1.241	-1.062
H5	0.911	1.241	-1.062
H6	0.911	-1.241	-1.062
H7	-0.911	-1.241	-1.062

	S1	C2	C3	H4	H5	H6	H7
S1		1.8053	1.8053	2.4610	2.4610	2.4610	2.4610
C2	1.8053		1.4764	1.0759	1.0759	2.1959	2.1959
C3	1.8053	1.4764		2.1959	2.1959	1.0759	1.0759
H4	2.4610	1.0759	2.1959		1.8229	3.0795	2.4820
H5	2.4610	1.0759	2.1959	1.8229		2.4820	3.0795
H6	2.4610	2.1959	1.0759	3.0795	2.4820		1.8229
H7	2.4610	2.1959	1.0759	2.4820	3.0795	1.8229

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	65.863	S1	C2	H4	114.965
S1	C2	H5	114.965	S1	C3	C2	65.863
S1	C3	H6	114.965	S1	C3	H7	114.965
C2	S1	C3	48.274	C2	C3	H6	117.858
C2	C3	H7	117.858	C3	C2	H4	117.858
C3	C2	H5	117.858	H4	C2	H5	115.795
H6	C3	H7	115.795

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: MP2=FULL/cc-pV(T+d)Z

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/cc-pV(T+d)Z

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)