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	hartrees
Energy at 0K	-476.223879
Energy at 298.15K	-476.228327
HF Energy	-475.620083
Nuclear repulsion energy	101.152643

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3143	3048
2	A₁	1499	1454
3	A₁	1141	1106
4	A₁	1045	1013
5	A₁	643	624
6	A₂	3228	3130
7	A₂	1199	1162
8	A₂	903	875
9	B₁	3241	3143
10	B₁	960	931
11	B₁	832	807
12	B₂	3140	3045
13	B₂	1474	1429
14	B₂	1072	1039
15	B₂	681	661

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.865
C2	0.000	0.742	-0.797
C3	0.000	-0.742	-0.797
H4	-0.915	1.249	-1.070
H5	0.915	1.249	-1.070
H6	0.915	-1.249	-1.070
H7	-0.915	-1.249	-1.070

	S1	C2	C3	H4	H5	H6	H7
S1		1.8207	1.8207	2.4788	2.4788	2.4788	2.4788
C2	1.8207		1.4833	1.0813	1.0813	2.2078	2.2078
C3	1.8207	1.4833		2.2078	2.2078	1.0813	1.0813
H4	2.4788	1.0813	2.2078		1.8302	3.0966	2.4978
H5	2.4788	1.0813	2.2078	1.8302		2.4978	3.0966
H6	2.4788	2.2078	1.0813	3.0966	2.4978		1.8302
H7	2.4788	2.2078	1.0813	2.4978	3.0966	1.8302

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	65.962	S1	C2	H4	114.938
S1	C2	H5	114.938	S1	C3	C2	65.962
S1	C3	H6	114.938	S1	C3	H7	114.938
C2	S1	C3	48.076	C2	C3	H6	117.976
C2	C3	H7	117.976	C3	C2	H4	117.976
C3	C2	H5	117.976	H4	C2	H5	115.622
H6	C3	H7	115.622

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: CCSD(T)/cc-pVQZ

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: CCSD(T)/cc-pVQZ

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)