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	hartrees
Energy at 0K	-476.171639
Energy at 298.15K	-476.176115
HF Energy	-475.620340
Nuclear repulsion energy	101.551071

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3174	3011	9.69
2	A₁	1503	1425	2.50
3	A₁	1158	1098	1.27
4	A₁	1049	995	1.45
5	A₁	660	626	19.73
6	A₂	3268	3099	0.00
7	A₂	1201	1139	0.00
8	A₂	915	868	0.00
9	B₁	3280	3111	0.67
10	B₁	967	917	3.20
11	B₁	838	794	0.43
12	B₂	3173	3009	5.79
13	B₂	1479	1403	0.82
14	B₂	1072	1017	22.37
15	B₂	703	666	0.98

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.861
C2	0.000	0.739	-0.794
C3	0.000	-0.739	-0.794
H4	-0.914	1.245	-1.064
H5	0.914	1.245	-1.064
H6	0.914	-1.245	-1.064
H7	-0.914	-1.245	-1.064

	S1	C2	C3	H4	H5	H6	H7
S1		1.8128	1.8128	2.4681	2.4681	2.4681	2.4681
C2	1.8128		1.4772	1.0792	1.0792	2.2006	2.2006
C3	1.8128	1.4772		2.2006	2.2006	1.0792	1.0792
H4	2.4681	1.0792	2.2006		1.8283	3.0890	2.4898
H5	2.4681	1.0792	2.2006	1.8283		2.4898	3.0890
H6	2.4681	2.2006	1.0792	3.0890	2.4898		1.8283
H7	2.4681	2.2006	1.0792	2.4898	3.0890	1.8283

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	65.956	S1	C2	H4	114.787
S1	C2	H5	114.787	S1	C3	C2	65.956
S1	C3	H6	114.787	S1	C3	H7	114.787
C2	S1	C3	48.087	C2	C3	H6	117.980
C2	C3	H7	117.980	C3	C2	H4	117.980
C3	C2	H5	117.980	H4	C2	H5	115.786
H6	C3	H7	115.786

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: MP2/cc-pVQZ

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/cc-pVQZ

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)