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	hartrees
Energy at 0K	-476.085592
Energy at 298.15K	-476.090090
HF Energy	-475.593512
Nuclear repulsion energy	100.965737

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3188	3037	9.17
2	A₁	1530	1458	4.14
3	A₁	1169	1113	3.91
4	A₁	1094	1042	0.57
5	A₁	658	627	20.56
6	A₂	3282	3127	0.00
7	A₂	1214	1157	0.00
8	A₂	930	886	0.00
9	B₁	3295	3139	4.40
10	B₁	985	938	4.69
11	B₁	859	818	0.08
12	B₂	3186	3035	8.21
13	B₂	1501	1430	0.27
14	B₂	1121	1068	49.26
15	B₂	687	654	1.82

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.871
C2	0.000	0.739	-0.802
C3	0.000	-0.739	-0.802
H4	-0.914	1.244	-1.078
H5	0.914	1.244	-1.078
H6	0.914	-1.244	-1.078
H7	-0.914	-1.244	-1.078

	S1	C2	C3	H4	H5	H6	H7
S1		1.8283	1.8283	2.4860	2.4860	2.4860	2.4860
C2	1.8283		1.4771	1.0804	1.0804	2.2008	2.2008
C3	1.8283	1.4771		2.2008	2.2008	1.0804	1.0804
H4	2.4860	1.0804	2.2008		1.8277	3.0879	2.4889
H5	2.4860	1.0804	2.2008	1.8277		2.4889	3.0879
H6	2.4860	2.2008	1.0804	3.0879	2.4889		1.8277
H7	2.4860	2.2008	1.0804	2.4889	3.0879	1.8277

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	66.174	S1	C2	H4	115.013
S1	C2	H5	115.013	S1	C3	C2	66.174
S1	C3	H6	115.013	S1	C3	H7	115.013
C2	S1	C3	47.653	C2	C3	H6	117.921
C2	C3	H7	117.921	C3	C2	H4	117.921
C3	C2	H5	117.921	H4	C2	H5	115.530
H6	C3	H7	115.530

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: MP2=FULL/TZVP

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/TZVP

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)