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	hartrees
Energy at 0K	-475.913347
Energy at 298.15K	-475.917904
HF Energy	-475.546623
Nuclear repulsion energy	101.515675

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3249	3002	10.48
2	A₁	1589	1468	4.71
3	A₁	1213	1121	3.63
4	A₁	1119	1034	0.53
5	A₁	693	640	27.62
6	A₂	3329	3075	0.00
7	A₂	1257	1161	0.00
8	A₂	965	892	0.00
9	B₁	3342	3087	5.60
10	B₁	1028	949	4.70
11	B₁	881	814	0.43
12	B₂	3244	2996	11.10
13	B₂	1556	1437	0.29
14	B₂	1159	1071	37.50
15	B₂	737	680	1.25

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.862
C2	0.000	0.740	-0.790
C3	0.000	-0.740	-0.790
H4	-0.911	1.249	-1.075
H5	0.911	1.249	-1.075
H6	0.911	-1.249	-1.075
H7	-0.911	-1.249	-1.075

	S1	C2	C3	H4	H5	H6	H7
S1		1.8100	1.8100	2.4785	2.4785	2.4785	2.4785
C2	1.8100		1.4793	1.0820	1.0820	2.2063	2.2063
C3	1.8100	1.4793		2.2063	2.2063	1.0820	1.0820
H4	2.4785	1.0820	2.2063		1.8216	3.0924	2.4990
H5	2.4785	1.0820	2.2063	1.8216		2.4990	3.0924
H6	2.4785	2.2063	1.0820	3.0924	2.4990		1.8216
H7	2.4785	2.2063	1.0820	2.4990	3.0924	1.8216

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	65.880	S1	C2	H4	115.658
S1	C2	H5	115.658	S1	C3	C2	65.880
S1	C3	H6	115.658	S1	C3	H7	115.658
C2	S1	C3	48.240	C2	C3	H6	118.110
C2	C3	H7	118.110	C3	C2	H4	118.110
C3	C2	H5	118.110	H4	C2	H5	114.657
H6	C3	H7	114.657

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: CID/6-31G*

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: CID/6-31G*

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)