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	hartrees
Energy at 0K	-475.988069
Energy at 298.15K	-475.992593
HF Energy	-475.554820
Nuclear repulsion energy	101.437934

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3224	3028	9.69
2	A₁	1556	1461	5.80
3	A₁	1186	1114	3.73
4	A₁	1102	1035	1.27
5	A₁	677	636	21.24
6	A₂	3317	3115	0.00
7	A₂	1223	1149	0.00
8	A₂	949	892	0.00
9	B₁	3328	3126	3.22
10	B₁	1000	939	4.78
11	B₁	862	810	0.34
12	B₂	3221	3025	7.67
13	B₂	1526	1433	0.12
14	B₂	1132	1064	42.09
15	B₂	713	669	2.84

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.863
C2	0.000	0.741	-0.791
C3	0.000	-0.741	-0.791
H4	-0.912	1.246	-1.077
H5	0.912	1.246	-1.077
H6	0.912	-1.246	-1.077
H7	-0.912	-1.246	-1.077

	S1	C2	C3	H4	H5	H6	H7
S1		1.8125	1.8125	2.4791	2.4791	2.4791	2.4791
C2	1.8125		1.4816	1.0807	1.0807	2.2047	2.2047
C3	1.8125	1.4816		2.2047	2.2047	1.0807	1.0807
H4	2.4791	1.0807	2.2047		1.8231	3.0881	2.4926
H5	2.4791	1.0807	2.2047	1.8231		2.4926	3.0881
H6	2.4791	2.2047	1.0807	3.0881	2.4926		1.8231
H7	2.4791	2.2047	1.0807	2.4926	3.0881	1.8231

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	65.876	S1	C2	H4	115.604
S1	C2	H5	115.604	S1	C3	C2	65.876
S1	C3	H6	115.604	S1	C3	H7	115.604
C2	S1	C3	48.248	C2	C3	H6	117.891
C2	C3	H7	117.891	C3	C2	H4	117.891
C3	C2	H5	117.891	H4	C2	H5	115.020
H6	C3	H7	115.020

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: MP2=FULL/6-31+G**

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/6-31+G**

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)