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	hartrees
Energy at 0K	-475.982237
Energy at 298.15K	-475.986769
HF Energy	-475.553351
Nuclear repulsion energy	101.508717

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3232	3020	9.20
2	A₁	1566	1463	6.05
3	A₁	1196	1118	3.10
4	A₁	1101	1028	0.52
5	A₁	684	639	19.56
6	A₂	3324	3106	0.00
7	A₂	1234	1153	0.00
8	A₂	952	889	0.00
9	B₁	3336	3117	4.78
10	B₁	1008	942	5.16
11	B₁	868	811	0.21
12	B₂	3229	3017	8.84
13	B₂	1536	1435	0.03
14	B₂	1128	1054	35.32
15	B₂	718	671	1.24

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.863
C2	0.000	0.739	-0.791
C3	0.000	-0.739	-0.791
H4	-0.911	1.245	-1.077
H5	0.911	1.245	-1.077
H6	0.911	-1.245	-1.077
H7	-0.911	-1.245	-1.077

	S1	C2	C3	H4	H5	H6	H7
S1		1.8115	1.8115	2.4782	2.4782	2.4782	2.4782
C2	1.8115		1.4789	1.0802	1.0802	2.2022	2.2022
C3	1.8115	1.4789		2.2022	2.2022	1.0802	1.0802
H4	2.4782	1.0802	2.2022		1.8214	3.0853	2.4903
H5	2.4782	1.0802	2.2022	1.8214		2.4903	3.0853
H6	2.4782	2.2022	1.0802	3.0853	2.4903		1.8214
H7	2.4782	2.2022	1.0802	2.4903	3.0853	1.8214

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	65.907	S1	C2	H4	115.640
S1	C2	H5	115.640	S1	C3	C2	65.907
S1	C3	H6	115.640	S1	C3	H7	115.640
C2	S1	C3	48.186	C2	C3	H6	117.914
C2	C3	H7	117.914	C3	C2	H4	117.914
C3	C2	H5	117.914	H4	C2	H5	114.935
H6	C3	H7	114.935

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: MP2=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: MP2=FULL/6-31G**

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)