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	hartrees
Energy at 0K	-475.996041
Energy at 298.15K	-476.000519
HF Energy	-475.545954
Nuclear repulsion energy	100.789620

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3158	3065
2	A₁	1544	1499
3	A₁	1173	1139
4	A₁	1083	1051
5	A₁	660	641
6	A₂	3236	3141
7	A₂	1220	1184
8	A₂	934	906
9	B₁	3249	3154
10	B₁	992	963
11	B₁	859	833
12	B₂	3154	3061
13	B₂	1515	1471
14	B₂	1110	1077
15	B₂	686	666

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.869
C2	0.000	0.743	-0.798
C3	0.000	-0.743	-0.798
H4	-0.917	1.256	-1.084
H5	0.917	1.256	-1.084
H6	0.917	-1.256	-1.084
H7	-0.917	-1.256	-1.084

	S1	C2	C3	H4	H5	H6	H7
S1		1.8249	1.8249	2.4966	2.4966	2.4966	2.4966
C2	1.8249		1.4862	1.0889	1.0889	2.2177	2.2177
C3	1.8249	1.4862		2.2177	2.2177	1.0889	1.0889
H4	2.4966	1.0889	2.2177		1.8338	3.1097	2.5115
H5	2.4966	1.0889	2.2177	1.8338		2.5115	3.1097
H6	2.4966	2.2177	1.0889	3.1097	2.5115		1.8338
H7	2.4966	2.2177	1.0889	2.5115	3.1097	1.8338

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	65.970	S1	C2	H4	115.604
S1	C2	H5	115.604	S1	C3	C2	65.970
S1	C3	H6	115.604	S1	C3	H7	115.604
C2	S1	C3	48.060	C2	C3	H6	118.086
C2	C3	H7	118.086	C3	C2	H4	118.086
C3	C2	H5	118.086	H4	C2	H5	114.715
H6	C3	H7	114.715

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: CCSD(T)=FULL/6-31G*

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)=FULL/6-31G*

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)