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	hartrees
Energy at 0K	-476.171861
Energy at 298.15K	-476.176386
HF Energy	-475.582817
Nuclear repulsion energy	101.214984

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3184	3184	11.91
2	A₁	1547	1547	3.23
3	A₁	1181	1181	3.32
4	A₁	1097	1097	0.92
5	A₁	678	678	23.00
6	A₂	3268	3268	0.00
7	A₂	1227	1227	0.00
8	A₂	952	952	0.00
9	B₁	3281	3281	6.89
10	B₁	1009	1009	10.54
11	B₁	868	868	0.47
12	B₂	3179	3179	10.73
13	B₂	1514	1514	1.09
14	B₂	1133	1133	46.91
15	B₂	707	707	2.11

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.864
C2	0.000	0.743	-0.793
C3	0.000	-0.743	-0.793
H4	-0.915	1.250	-1.076
H5	0.915	1.250	-1.076
H6	0.915	-1.250	-1.076
H7	-0.915	-1.250	-1.076

	S1	C2	C3	H4	H5	H6	H7
S1		1.8160	1.8160	2.4821	2.4821	2.4821	2.4821
C2	1.8160		1.4864	1.0836	1.0836	2.2113	2.2113
C3	1.8160	1.4864		2.2113	2.2113	1.0836	1.0836
H4	2.4821	1.0836	2.2113		1.8307	3.0983	2.4996
H5	2.4821	1.0836	2.2113	1.8307		2.4996	3.0983
H6	2.4821	2.2113	1.0836	3.0983	2.4996		1.8307
H7	2.4821	2.2113	1.0836	2.4996	3.0983	1.8307

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	65.842	S1	C2	H4	115.412
S1	C2	H5	115.412	S1	C3	C2	65.842
S1	C3	H6	115.412	S1	C3	H7	115.412
C2	S1	C3	48.317	C2	C3	H6	117.872
C2	C3	H7	117.872	C3	C2	H4	117.872
C3	C2	H5	117.872	H4	C2	H5	115.280
H6	C3	H7	115.280

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: MP3=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: MP3=FULL/6-311G*

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)