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	hartrees
Energy at 0K	-476.613245
Energy at 298.15K	-476.617713
HF Energy	-476.432297
Nuclear repulsion energy	100.863338

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3156	3156	16.43
2	A₁	1531	1531	4.57
3	A₁	1164	1164	3.82
4	A₁	1072	1072	0.33
5	A₁	642	642	26.65
6	A₂	3239	3239	0.00
7	A₂	1217	1217	0.00
8	A₂	930	930	0.00
9	B₁	3254	3254	9.30
10	B₁	985	985	11.20
11	B₁	858	858	0.47
12	B₂	3154	3154	15.42
13	B₂	1502	1502	0.83
14	B₂	1100	1100	47.92
15	B₂	671	671	0.78

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.871
C2	0.000	0.740	-0.802
C3	0.000	-0.740	-0.802
H4	-0.913	1.252	-1.077
H5	0.913	1.252	-1.077
H6	0.913	-1.252	-1.077
H7	-0.913	-1.252	-1.077

	S1	C2	C3	H4	H5	H6	H7
S1		1.8287	1.8287	2.4892	2.4892	2.4892	2.4892
C2	1.8287		1.4797	1.0828	1.0828	2.2083	2.2083
C3	1.8287	1.4797		2.2083	2.2083	1.0828	1.0828
H4	2.4892	1.0828	2.2083		1.8269	3.0992	2.5035
H5	2.4892	1.0828	2.2083	1.8269		2.5035	3.0992
H6	2.4892	2.2083	1.0828	3.0992	2.5035		1.8269
H7	2.4892	2.2083	1.0828	2.5035	3.0992	1.8269

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	66.136	S1	C2	H4	115.094
S1	C2	H5	115.094	S1	C3	C2	66.136
S1	C3	H6	115.094	S1	C3	H7	115.094
C2	S1	C3	47.728	C2	C3	H6	118.213
C2	C3	H7	118.213	C3	C2	H4	118.213
C3	C2	H5	118.213	H4	C2	H5	115.046
H6	C3	H7	115.046

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: B2PLYP=FULL/6-311G*

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: B2PLYP=FULL/6-311G*

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)