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	hartrees
Energy at 0K	-476.193674
Energy at 298.15K	-476.198172
HF Energy	-475.611090
Nuclear repulsion energy	101.685687

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3193	3032	9.59
2	A₁	1515	1438	2.69
3	A₁	1168	1109	1.50
4	A₁	1062	1009	1.60
5	A₁	668	634	18.58
6	A₂	3266	3101	0.00
7	A₂	1207	1146	0.00
8	A₂	919	873	0.00
9	B₁	3280	3114	1.34
10	B₁	976	927	3.50
11	B₁	844	801	0.32
12	B₂	3190	3029	7.19
13	B₂	1492	1416	0.75
14	B₂	1085	1030	25.17
15	B₂	711	675	1.09

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.861
C2	0.000	0.737	-0.793
C3	0.000	-0.737	-0.793
H4	-0.910	1.243	-1.066
H5	0.910	1.243	-1.066
H6	0.910	-1.243	-1.066
H7	-0.910	-1.243	-1.066

	S1	C2	C3	H4	H5	H6	H7
S1		1.8106	1.8106	2.4669	2.4669	2.4669	2.4669
C2	1.8106		1.4744	1.0763	1.0763	2.1966	2.1966
C3	1.8106	1.4744		2.1966	2.1966	1.0763	1.0763
H4	2.4669	1.0763	2.1966		1.8196	3.0815	2.4869
H5	2.4669	1.0763	2.1966	1.8196		2.4869	3.0815
H6	2.4669	2.1966	1.0763	3.0815	2.4869		1.8196
H7	2.4669	2.1966	1.0763	2.4869	3.0815	1.8196

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	65.973	S1	C2	H4	115.025
S1	C2	H5	115.025	S1	C3	C2	65.973
S1	C3	H6	115.025	S1	C3	H7	115.025
C2	S1	C3	48.053	C2	C3	H6	118.057
C2	C3	H7	118.057	C3	C2	H4	118.057
C3	C2	H5	118.057	H4	C2	H5	115.407
H6	C3	H7	115.407

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: MP2=FULL/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=FULL/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)