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	hartrees
Energy at 0K	-476.136742
Energy at 298.15K	-476.141211
HF Energy	-475.611985
Nuclear repulsion energy	101.215822

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3169	3020	10.09
2	A₁	1504	1433	2.31
3	A₁	1153	1099	1.44
4	A₁	1049	1000	1.34
5	A₁	655	624	19.78
6	A₂	3260	3107	0.00
7	A₂	1198	1141	0.00
8	A₂	909	866	0.00
9	B₁	3273	3119	0.49
10	B₁	963	918	3.01
11	B₁	835	796	0.54
12	B₂	3167	3018	5.27
13	B₂	1479	1410	0.81
14	B₂	1068	1017	20.29
15	B₂	693	660	1.06

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.864
C2	0.000	0.740	-0.796
C3	0.000	-0.740	-0.796
H4	-0.914	1.250	-1.067
H5	0.914	1.250	-1.067
H6	0.914	-1.250	-1.067
H7	-0.914	-1.250	-1.067

	S1	C2	C3	H4	H5	H6	H7
S1		1.8166	1.8166	2.4747	2.4747	2.4747	2.4747
C2	1.8166		1.4794	1.0811	1.0811	2.2059	2.2059
C3	1.8166	1.4794		2.2059	2.2059	1.0811	1.0811
H4	2.4747	1.0811	2.2059		1.8276	3.0962	2.4993
H5	2.4747	1.0811	2.2059	1.8276		2.4993	3.0962
H6	2.4747	2.2059	1.0811	3.0962	2.4993		1.8276
H7	2.4747	2.2059	1.0811	2.4993	3.0962	1.8276

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	65.973	S1	C2	H4	114.927
S1	C2	H5	114.927	S1	C3	C2	65.973
S1	C3	H6	114.927	S1	C3	H7	114.927
C2	S1	C3	48.055	C2	C3	H6	118.146
C2	C3	H7	118.146	C3	C2	H4	118.146
C3	C2	H5	118.146	H4	C2	H5	115.392
H6	C3	H7	115.392

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: MP2/aug-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/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)