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	hartrees
Energy at 0K	-476.049717
Energy at 298.15K	-476.054202
HF Energy	-475.564552
Nuclear repulsion energy	101.243770

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3200	3023	6.07
2	A₁	1509	1425	4.59
3	A₁	1167	1102	1.24
4	A₁	1062	1003	0.60
5	A₁	668	631	20.24
6	A₂	3295	3112	0.00
7	A₂	1205	1138	0.00
8	A₂	919	868	0.00
9	B₁	3308	3125	0.19
10	B₁	973	919	4.16
11	B₁	840	794	0.47
12	B₂	3198	3021	4.10
13	B₂	1485	1403	0.34
14	B₂	1084	1024	25.47
15	B₂	710	670	0.36

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.863
C2	0.000	0.741	-0.794
C3	0.000	-0.741	-0.794
H4	-0.915	1.253	-1.067
H5	0.915	1.253	-1.067
H6	0.915	-1.253	-1.067
H7	-0.915	-1.253	-1.067

	S1	C2	C3	H4	H5	H6	H7
S1		1.8152	1.8152	2.4763	2.4763	2.4763	2.4763
C2	1.8152		1.4817	1.0834	1.0834	2.2108	2.2108
C3	1.8152	1.4817		2.2108	2.2108	1.0834	1.0834
H4	2.4763	1.0834	2.2108		1.8294	3.1031	2.5065
H5	2.4763	1.0834	2.2108	1.8294		2.5065	3.1031
H6	2.4763	2.2108	1.0834	3.1031	2.5065		1.8294
H7	2.4763	2.2108	1.0834	2.5065	3.1031	1.8294

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	65.912	S1	C2	H4	115.017
S1	C2	H5	115.017	S1	C3	C2	65.912
S1	C3	H6	115.017	S1	C3	H7	115.017
C2	S1	C3	48.175	C2	C3	H6	118.228
C2	C3	H7	118.228	C3	C2	H4	118.228
C3	C2	H5	118.228	H4	C2	H5	115.201
H6	C3	H7	115.201

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: MP2/6-31G(2df,p)

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(2df,p)

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)