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	hartrees
Energy at 0K	-476.062458
Energy at 298.15K	-476.066853
HF Energy	-475.575887
Nuclear repulsion energy	99.551948

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3160	3087
2	A₁	1545	1509
3	A₁	1173	1146
4	A₁	1083	1058
5	A₁	659	643
6	A₂	3241	3166
7	A₂	1220	1191
8	A₂	937	916
9	B₁	3254	3179
10	B₁	993	970
11	B₁	858	838
12	B₂	3157	3084
13	B₂	1517	1482
14	B₂	1108	1083
15	B₂	686	670

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.883
C2	0.000	0.748	-0.816
C3	0.000	-0.748	-0.816
H4	-0.928	1.264	-1.084
H5	0.928	1.264	-1.084
H6	0.928	-1.264	-1.084
H7	-0.928	-1.264	-1.084

	S1	C2	C3	H4	H5	H6	H7
S1		1.8560	1.8560	2.5153	2.5153	2.5153	2.5153
C2	1.8560		1.4958	1.0954	1.0954	2.2320	2.2320
C3	1.8560	1.4958		2.2320	2.2320	1.0954	1.0954
H4	2.5153	1.0954	2.2320		1.8567	3.1368	2.5282
H5	2.5153	1.0954	2.2320	1.8567		2.5282	3.1368
H6	2.5153	2.2320	1.0954	3.1368	2.5282		1.8567
H7	2.5153	2.2320	1.0954	2.5282	3.1368	1.8567

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	66.237	S1	C2	H4	114.429
S1	C2	H5	114.429	S1	C3	C2	66.237
S1	C3	H6	114.429	S1	C3	H7	114.429
C2	S1	C3	47.526	C2	C3	H6	118.115
C2	C3	H7	118.115	C3	C2	H4	118.115
C3	C2	H5	118.115	H4	C2	H5	115.874
H6	C3	H7	115.874

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: MP4/aug-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: MP4/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)