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	hartrees
Energy at 0K	-476.178986
Energy at 298.15K	-476.183428
HF Energy	-475.607195
Nuclear repulsion energy	101.016415

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3146	3146
2	A₁	1504	1504
3	A₁	1138	1138
4	A₁	1050	1050
5	A₁	638	638
6	A₂	3227	3227
7	A₂	1194	1194
8	A₂	905	905
9	B₁	3243	3243
10	B₁	963	963
11	B₁	834	834
12	B₂	3140	3140
13	B₂	1479	1479
14	B₂	1074	1074
15	B₂	678	678

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.867
C2	0.000	0.744	-0.798
C3	0.000	-0.744	-0.798
H4	-0.915	1.250	-1.074
H5	0.915	1.250	-1.074
H6	0.915	-1.250	-1.074
H7	-0.915	-1.250	-1.074

	S1	C2	C3	H4	H5	H6	H7
S1		1.8227	1.8227	2.4829	2.4829	2.4829	2.4829
C2	1.8227		1.4874	1.0818	1.0818	2.2111	2.2111
C3	1.8227	1.4874		2.2111	2.2111	1.0818	1.0818
H4	2.4829	1.0818	2.2111		1.8304	3.0987	2.5003
H5	2.4829	1.0818	2.2111	1.8304		2.5003	3.0987
H6	2.4829	2.2111	1.0818	3.0987	2.5003		1.8304
H7	2.4829	2.2111	1.0818	2.5003	3.0987	1.8304

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	65.921	S1	C2	H4	115.088
S1	C2	H5	115.088	S1	C3	C2	65.921
S1	C3	H6	115.088	S1	C3	H7	115.088
C2	S1	C3	48.159	C2	C3	H6	117.914
C2	C3	H7	117.914	C3	C2	H4	117.914
C3	C2	H5	117.914	H4	C2	H5	115.557
H6	C3	H7	115.557

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: QCISD(T)/Def2TZVPP

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: QCISD(T)/Def2TZVPP

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)