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	hartrees
Energy at 0K	-476.027197
Energy at 298.15K	-476.031638
HF Energy	-475.577375
Nuclear repulsion energy	100.224361

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3170	3170	11.34
2	A₁	1491	1491	2.29
3	A₁	1157	1157	2.29
4	A₁	1038	1038	0.94
5	A₁	644	644	20.29
6	A₂	3267	3267	0.00
7	A₂	1189	1189	0.00
8	A₂	892	892	0.00
9	B₁	3282	3282	1.42
10	B₁	950	950	2.89
11	B₁	828	828	0.40
12	B₂	3166	3166	6.94
13	B₂	1458	1458	0.51
14	B₂	1055	1055	20.47
15	B₂	667	667	0.84

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.876
C2	0.000	0.744	-0.809
C3	0.000	-0.744	-0.809
H4	-0.925	1.257	-1.076
H5	0.925	1.257	-1.076
H6	0.925	-1.257	-1.076
H7	-0.925	-1.257	-1.076

	S1	C2	C3	H4	H5	H6	H7
S1		1.8416	1.8416	2.4987	2.4987	2.4987	2.4987
C2	1.8416		1.4877	1.0909	1.0909	2.2204	2.2204
C3	1.8416	1.4877		2.2204	2.2204	1.0909	1.0909
H4	2.4987	1.0909	2.2204		1.8502	3.1213	2.5138
H5	2.4987	1.0909	2.2204	1.8502		2.5138	3.1213
H6	2.4987	2.2204	1.0909	3.1213	2.5138		1.8502
H7	2.4987	2.2204	1.0909	2.5138	3.1213	1.8502

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	66.176	S1	C2	H4	114.430
S1	C2	H5	114.430	S1	C3	C2	66.176
S1	C3	H6	114.430	S1	C3	H7	114.430
C2	S1	C3	47.648	C2	C3	H6	118.053
C2	C3	H7	118.053	C3	C2	H4	118.053
C3	C2	H5	118.053	H4	C2	H5	115.986
H6	C3	H7	115.986

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: MP2=FULL/daug-cc-pVDZ

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=FULL/daug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)