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	hartrees
Energy at 0K	-476.183227
Energy at 298.15K	-476.187672
HF Energy	-475.610471
Nuclear repulsion energy	100.757611

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3140	3043
2	A₁	1500	1454
3	A₁	1140	1105
4	A₁	1047	1015
5	A₁	637	617
6	A₂	3225	3126
7	A₂	1197	1161
8	A₂	905	877
9	B₁	3239	3139
10	B₁	959	929
11	B₁	832	807
12	B₂	3137	3041
13	B₂	1475	1430
14	B₂	1069	1036
15	B₂	674	653

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.871
C2	0.000	0.743	-0.802
C3	0.000	-0.743	-0.802
H4	-0.916	1.251	-1.075
H5	0.916	1.251	-1.075
H6	0.916	-1.251	-1.075
H7	-0.916	-1.251	-1.075

	S1	C2	C3	H4	H5	H6	H7
S1		1.8305	1.8305	2.4880	2.4880	2.4880	2.4880
C2	1.8305		1.4854	1.0826	1.0826	2.2111	2.2111
C3	1.8305	1.4854		2.2111	2.2111	1.0826	1.0826
H4	2.4880	1.0826	2.2111		1.8322	3.1014	2.5023
H5	2.4880	1.0826	2.2111	1.8322		2.5023	3.1014
H6	2.4880	2.2111	1.0826	3.1014	2.5023		1.8322
H7	2.4880	2.2111	1.0826	2.5023	3.1014	1.8322

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	66.063	S1	C2	H4	114.872
S1	C2	H5	114.872	S1	C3	C2	66.063
S1	C3	H6	114.872	S1	C3	H7	114.872
C2	S1	C3	47.874	C2	C3	H6	118.013
C2	C3	H7	118.013	C3	C2	H4	118.013
C3	C2	H5	118.013	H4	C2	H5	115.603
H6	C3	H7	115.603

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: MP4/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: MP4/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)