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	hartrees
Energy at 0K	-476.010213
Energy at 298.15K	-476.014751
HF Energy	-475.553334
Nuclear repulsion energy	101.424851

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3249	3249	10.58
2	A₁	1576	1576	5.61
3	A₁	1196	1196	4.08
4	A₁	1104	1104	0.38
5	A₁	685	685	21.30
6	A₂	3334	3334	0.00
7	A₂	1243	1243	0.00
8	A₂	951	951	0.00
9	B₁	3346	3346	7.32
10	B₁	1013	1013	4.40
11	B₁	871	871	0.19
12	B₂	3244	3244	11.47
13	B₂	1545	1545	0.01
14	B₂	1139	1139	34.45
15	B₂	719	719	1.47

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.863
C2	0.000	0.741	-0.791
C3	0.000	-0.741	-0.791
H4	-0.909	1.246	-1.079
H5	0.909	1.246	-1.079
H6	0.909	-1.246	-1.079
H7	-0.909	-1.246	-1.079

	S1	C2	C3	H4	H5	H6	H7
S1		1.8132	1.8132	2.4801	2.4801	2.4801	2.4801
C2	1.8132		1.4827	1.0786	1.0786	2.2043	2.2043
C3	1.8132	1.4827		2.2043	2.2043	1.0786	1.0786
H4	2.4801	1.0786	2.2043		1.8177	3.0847	2.4922
H5	2.4801	1.0786	2.2043	1.8177		2.4922	3.0847
H6	2.4801	2.2043	1.0786	3.0847	2.4922		1.8177
H7	2.4801	2.2043	1.0786	2.4922	3.0847	1.8177

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	65.866	S1	C2	H4	115.757
S1	C2	H5	115.757	S1	C3	C2	65.866
S1	C3	H6	115.757	S1	C3	H7	115.757
C2	S1	C3	48.268	C2	C3	H6	117.903
C2	C3	H7	117.903	C3	C2	H4	117.903
C3	C2	H5	117.903	H4	C2	H5	114.832
H6	C3	H7	114.832

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: MP3=FULL/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: MP3=FULL/6-31G**

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)