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	hartrees
Energy at 0K	-23.381695
Energy at 298.15K	-23.386083
HF Energy	-23.144683
Nuclear repulsion energy	36.416111

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3109	3034	9.06
2	A₁	1513	1477	1.99
3	A₁	1148	1121	1.58
4	A₁	1092	1066	7.56
5	A₁	577	563	15.67
6	A₂	3215	3138	0.00
7	A₂	1223	1194	0.00
8	A₂	918	896	0.00
9	B₁	3232	3155	14.71
10	B₁	923	901	4.79
11	B₁	860	839	0.15
12	B₂	3099	3025	10.81
13	B₂	1489	1453	2.16
14	B₂	1109	1083	57.60
15	B₂	587	573	3.75

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.255
C2	0.000	0.755	-0.542
C3	0.000	-0.755	-0.542
H4	-0.926	1.271	-0.799
H5	0.926	1.271	-0.799
H6	0.926	-1.271	-0.799
H7	-0.926	-1.271	-0.799

	S1	C2	C3	H4	H5	H6	H7
S1		1.9486	1.9486	2.5864	2.5864	2.5864	2.5864
C2	1.9486		1.5098	1.0908	1.0908	2.2420	2.2420
C3	1.9486	1.5098		2.2420	2.2420	1.0908	1.0908
H4	2.5864	1.0908	2.2420		1.8523	3.1447	2.5412
H5	2.5864	1.0908	2.2420	1.8523		2.5412	3.1447
H6	2.5864	2.2420	1.0908	3.1447	2.5412		1.8523
H7	2.5864	2.2420	1.0908	2.5412	3.1447	1.8523

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	67.206	S1	C2	H4	113.613
S1	C2	H5	113.613	S1	C3	C2	67.206
S1	C3	H6	113.613	S1	C3	H7	113.613
C2	S1	C3	45.588	C2	C3	H6	118.214
C2	C3	H7	118.214	C3	C2	H4	118.214
C3	C2	H5	118.214	H4	C2	H5	116.217
H6	C3	H7	116.217

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: MP2/CEP-121G

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-121G

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)