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	hartrees
Energy at 0K	-473.608068
Energy at 298.15K	-473.612539
HF Energy	-473.261849
Nuclear repulsion energy	100.194609

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3192	3192	6.52
2	A₁	1569	1569	3.80
3	A₁	1154	1154	0.08
4	A₁	1061	1061	3.85
5	A₁	617	617	20.59
6	A₂	3269	3269	0.00
7	A₂	1244	1244	0.00
8	A₂	931	931	0.00
9	B₁	3285	3285	4.51
10	B₁	1006	1006	4.39
11	B₁	889	889	1.13
12	B₂	3186	3186	7.00
13	B₂	1556	1556	1.46
14	B₂	1153	1153	41.23
15	B₂	669	669	0.71

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.874
C2	0.000	0.754	-0.802
C3	0.000	-0.754	-0.802
H4	-0.916	1.258	-1.089
H5	0.916	1.258	-1.089
H6	0.916	-1.258	-1.089
H7	-0.916	-1.258	-1.089

	S1	C2	C3	H4	H5	H6	H7
S1		1.8377	1.8377	2.5045	2.5045	2.5045	2.5045
C2	1.8377		1.5078	1.0841	1.0841	2.2291	2.2291
C3	1.8377	1.5078		2.2291	2.2291	1.0841	1.0841
H4	2.5045	1.0841	2.2291		1.8320	3.1123	2.5159
H5	2.5045	1.0841	2.2291	1.8320		2.5159	3.1123
H6	2.5045	2.2291	1.0841	3.1123	2.5159		1.8320
H7	2.5045	2.2291	1.0841	2.5159	3.1123	1.8320

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	65.781	S1	C2	H4	115.577
S1	C2	H5	115.577	S1	C3	C2	65.781
S1	C3	H6	115.577	S1	C3	H7	115.577
C2	S1	C3	48.439	C2	C3	H6	117.709
C2	C3	H7	117.709	C3	C2	H4	117.709
C3	C2	H5	117.709	H4	C2	H5	115.337
H6	C3	H7	115.337

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: MP3=FULL/3-21G*

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: MP3=FULL/3-21G*

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)