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	hartrees
Energy at 0K	-475.956175
Energy at 298.15K	-475.960698
HF Energy	-475.546345
Nuclear repulsion energy	101.108419

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3211	3014	9.24
2	A₁	1566	1470	4.47
3	A₁	1193	1120	3.15
4	A₁	1100	1032	0.88
5	A₁	682	640	22.29
6	A₂	3291	3089	0.00
7	A₂	1237	1161	0.00
8	A₂	951	893	0.00
9	B₁	3304	3101	5.50
10	B₁	1010	948	5.21
11	B₁	870	817	0.38
12	B₂	3208	3011	9.69
13	B₂	1535	1441	0.29
14	B₂	1132	1062	37.20
15	B₂	714	671	1.29

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.866
C2	0.000	0.742	-0.794
C3	0.000	-0.742	-0.794
H4	-0.914	1.252	-1.081
H5	0.914	1.252	-1.081
H6	0.914	-1.252	-1.081
H7	-0.914	-1.252	-1.081

	S1	C2	C3	H4	H5	H6	H7
S1		1.8182	1.8182	2.4884	2.4884	2.4884	2.4884
C2	1.8182		1.4848	1.0851	1.0851	2.2129	2.2129
C3	1.8182	1.4848		2.2129	2.2129	1.0851	1.0851
H4	2.4884	1.0851	2.2129		1.8278	3.1009	2.5049
H5	2.4884	1.0851	2.2129	1.8278		2.5049	3.1009
H6	2.4884	2.2129	1.0851	3.1009	2.5049		1.8278
H7	2.4884	2.2129	1.0851	2.5049	3.1009	1.8278

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	65.901	S1	C2	H4	115.659
S1	C2	H5	115.659	S1	C3	C2	65.901
S1	C3	H6	115.659	S1	C3	H7	115.659
C2	S1	C3	48.198	C2	C3	H6	118.038
C2	C3	H7	118.038	C3	C2	H4	118.038
C3	C2	H5	118.038	H4	C2	H5	114.745
H6	C3	H7	114.745

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)