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	hartrees
Energy at 0K	-475.929228
Energy at 298.15K	-475.933749
HF Energy	-475.546388
Nuclear repulsion energy	101.208695

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3206	3023	8.17
2	A₁	1563	1474	5.30
3	A₁	1195	1127	2.41
4	A₁	1100	1037	1.06
5	A₁	681	642	20.52
6	A₂	3293	3106	0.00
7	A₂	1233	1163	0.00
8	A₂	955	900	0.00
9	B₁	3305	3117	3.61
10	B₁	1009	952	5.91
11	B₁	868	819	0.36
12	B₂	3203	3021	7.47
13	B₂	1534	1447	0.23
14	B₂	1126	1061	37.63
15	B₂	714	674	1.05

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.865
C2	0.000	0.740	-0.794
C3	0.000	-0.740	-0.794
H4	-0.915	1.250	-1.080
H5	0.915	1.250	-1.080
H6	0.915	-1.250	-1.080
H7	-0.915	-1.250	-1.080

	S1	C2	C3	H4	H5	H6	H7
S1		1.8165	1.8165	2.4868	2.4868	2.4868	2.4868
C2	1.8165		1.4803	1.0862	1.0862	2.2092	2.2092
C3	1.8165	1.4803		2.2092	2.2092	1.0862	1.0862
H4	2.4868	1.0862	2.2092		1.8307	3.0987	2.5001
H5	2.4868	1.0862	2.2092	1.8307		2.5001	3.0987
H6	2.4868	2.2092	1.0862	3.0987	2.5001		1.8307
H7	2.4868	2.2092	1.0862	2.5001	3.0987	1.8307

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	65.954	S1	C2	H4	115.599
S1	C2	H5	115.599	S1	C3	C2	65.954
S1	C3	H6	115.599	S1	C3	H7	115.599
C2	S1	C3	48.092	C2	C3	H6	117.996
C2	C3	H7	117.996	C3	C2	H4	117.996
C3	C2	H5	117.996	H4	C2	H5	114.850
H6	C3	H7	114.850

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)