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	hartrees
Energy at 0K	-470.415429
Energy at 298.15K	-470.419957
HF Energy	-470.273785
Nuclear repulsion energy	100.473231

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3420	2982	0.02
2	A₁	1681	1466	3.79
3	A₁	1268	1106	1.74
4	A₁	1159	1010	0.09
5	A₁	820	715	3.81
6	A₂	3559	3103	0.00
7	A₂	1307	1140	0.00
8	A₂	996	868	0.00
9	B₁	3565	3108	3.43
10	B₁	1074	936	0.17
11	B₁	910	794	0.01
12	B₂	3412	2975	0.31
13	B₂	1662	1449	1.31
14	B₂	1223	1067	11.37
15	B₂	865	754	0.62

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.862
C2	0.000	0.765	-0.779
C3	0.000	-0.765	-0.779
H4	-0.920	1.274	-1.109
H5	0.920	1.274	-1.109
H6	0.920	-1.274	-1.109
H7	-0.920	-1.274	-1.109

	S1	C2	C3	H4	H5	H6	H7
S1		1.8107	1.8107	2.5209	2.5209	2.5209	2.5209
C2	1.8107		1.5293	1.1019	1.1019	2.2608	2.2608
C3	1.8107	1.5293		2.2608	2.2608	1.1019	1.1019
H4	2.5209	1.1019	2.2608		1.8394	3.1428	2.5483
H5	2.5209	1.1019	2.2608	1.8394		2.5483	3.1428
H6	2.5209	2.2608	1.1019	3.1428	2.5483		1.8394
H7	2.5209	2.2608	1.1019	2.5483	3.1428	1.8394

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	65.020	S1	C2	H4	117.813
S1	C2	H5	117.813	S1	C3	C2	65.020
S1	C3	H6	117.813	S1	C3	H7	117.813
C2	S1	C3	49.959	C2	C3	H6	117.539
C2	C3	H7	117.539	C3	C2	H4	117.539
C3	C2	H5	117.539	H4	C2	H5	113.157
H6	C3	H7	113.157

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: MP2/STO-3G

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/STO-3G

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)