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	hartrees
Energy at 0K	-476.626979
Energy at 298.15K
HF Energy	-476.438646
Nuclear repulsion energy	100.910287

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3153	3153	14.27
2	A₁	1518	1518	4.70
3	A₁	1160	1160	3.83
4	A₁	1068	1068	0.20
5	A₁	642	642	26.27
6	A₂	3236	3236	0.00
7	A₂	1207	1207	0.00
8	A₂	925	925	0.00
9	B₁	3250	3250	6.90
10	B₁	980	980	9.77
11	B₁	852	852	0.39
12	B₂	3151	3151	12.51
13	B₂	1491	1491	0.75
14	B₂	1100	1100	44.51
15	B₂	674	674	0.84

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.870
C2	0.000	0.740	-0.801
C3	0.000	-0.740	-0.801
H4	-0.914	1.250	-1.077
H5	0.914	1.250	-1.077
H6	0.914	-1.250	-1.077
H7	-0.914	-1.250	-1.077

	S1	C2	C3	H4	H5	H6	H7
S1		1.8273	1.8273	2.4879	2.4879	2.4879	2.4879
C2	1.8273		1.4804	1.0827	1.0827	2.2076	2.2076
C3	1.8273	1.4804		2.2076	2.2076	1.0827	1.0827
H4	2.4879	1.0827	2.2076		1.8285	3.0975	2.5002
H5	2.4879	1.0827	2.2076	1.8285		2.5002	3.0975
H6	2.4879	2.2076	1.0827	3.0975	2.5002		1.8285
H7	2.4879	2.2076	1.0827	2.5002	3.0975	1.8285

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	66.103	S1	C2	H4	115.098
S1	C2	H5	115.098	S1	C3	C2	66.103
S1	C3	H6	115.098	S1	C3	H7	115.098
C2	S1	C3	47.794	C2	C3	H6	118.093
C2	C3	H7	118.093	C3	C2	H4	118.093
C3	C2	H5	118.093	H4	C2	H5	115.223
H6	C3	H7	115.223

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: B2PLYP=FULLultrafine/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: B2PLYP=FULLultrafine/6-311G**

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)