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	hartrees
Energy at 0K	-476.138010
Energy at 298.15K	-476.142464
HF Energy	-475.612113
Nuclear repulsion energy	101.220323

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3169	3169	10.07
2	A₁	1504	1504	2.31
3	A₁	1153	1153	1.45
4	A₁	1048	1048	1.33
5	A₁	655	655	19.78
6	A₂	3260	3260	0.00
7	A₂	1196	1196	0.00
8	A₂	907	907	0.00
9	B₁	3273	3273	0.48
10	B₁	962	962	3.02
11	B₁	834	834	0.52
12	B₂	3167	3167	5.30
13	B₂	1479	1479	0.83
14	B₂	1065	1065	20.32
15	B₂	693	693	1.06

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.865
C2	0.000	0.740	-0.798
C3	0.000	-0.740	-0.798
H4	-0.916	1.247	-1.066
H5	0.916	1.247	-1.066
H6	0.916	-1.247	-1.066
H7	-0.916	-1.247	-1.066

	S1	C2	C3	H4	H5	H6	H7
S1		1.8206	1.8206	2.4747	2.4747	2.4747	2.4747
C2	1.8206		1.4800	1.0806	1.0806	2.2045	2.2045
C3	1.8206	1.4800		2.2045	2.2045	1.0806	1.0806
H4	2.4747	1.0806	2.2045		1.8317	3.0948	2.4946
H5	2.4747	1.0806	2.2045	1.8317		2.4946	3.0948
H6	2.4747	2.2045	1.0806	3.0948	2.4946		1.8317
H7	2.4747	2.2045	1.0806	2.4946	3.0948	1.8317

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	66.017	S1	C2	H4	114.657
S1	C2	H5	114.657	S1	C3	C2	66.017
S1	C3	H6	114.657	S1	C3	H7	114.657
C2	S1	C3	47.965	C2	C3	H6	117.996
C2	C3	H7	117.996	C3	C2	H4	117.996
C3	C2	H5	117.996	H4	C2	H5	115.881
H6	C3	H7	115.881

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: MP2/daug-cc-pVTZ

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/daug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)