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	hartrees
Energy at 0K	-23.579413
Energy at 298.15K	-23.583880
HF Energy	-23.210539
Nuclear repulsion energy	37.301327

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3182	3021	14.81
2	A₁	1533	1455	2.73
3	A₁	1164	1105	3.64
4	A₁	1078	1024	1.62
5	A₁	673	639	22.38
6	A₂	3286	3120	0.00
7	A₂	1202	1141	0.00
8	A₂	914	868	0.00
9	B₁	3298	3131	13.73
10	B₁	975	925	7.31
11	B₁	845	802	1.26
12	B₂	3178	3018	17.28
13	B₂	1491	1415	0.38
14	B₂	1083	1028	47.04
15	B₂	692	657	1.70

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.875
C2	0.000	0.753	-0.806
C3	0.000	-0.753	-0.806
H4	-0.928	1.267	-1.083
H5	0.928	1.267	-1.083
H6	0.928	-1.267	-1.083
H7	-0.928	-1.267	-1.083

	S1	C2	C3	H4	H5	H6	H7
S1		1.8422	1.8422	2.5101	2.5101	2.5101	2.5101
C2	1.8422		1.5059	1.0960	1.0960	2.2396	2.2396
C3	1.8422	1.5059		2.2396	2.2396	1.0960	1.0960
H4	2.5101	1.0960	2.2396		1.8553	3.1399	2.5332
H5	2.5101	1.0960	2.2396	1.8553		2.5332	3.1399
H6	2.5101	2.2396	1.0960	3.1399	2.5332		1.8553
H7	2.5101	2.2396	1.0960	2.5332	3.1399	1.8553

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	65.876	S1	C2	H4	114.989
S1	C2	H5	114.989	S1	C3	C2	65.876
S1	C3	H6	114.989	S1	C3	H7	114.989
C2	S1	C3	48.249	C2	C3	H6	117.948
C2	C3	H7	117.948	C3	C2	H4	117.948
C3	C2	H5	117.948	H4	C2	H5	115.639
H6	C3	H7	115.639

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: MP2/CEP-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/CEP-31G*

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)