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	hartrees
Energy at 0K	-476.377951
Energy at 298.15K	-476.382403
HF Energy	-475.607411
Nuclear repulsion energy	101.216237

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3147	3147
2	A₁	1510	1510
3	A₁	1142	1142
4	A₁	1051	1051
5	A₁	642	642
6	A₂	3226	3226
7	A₂	1198	1198
8	A₂	910	910
9	B₁	3243	3243
10	B₁	968	968
11	B₁	839	839
12	B₂	3140	3140
13	B₂	1485	1485
14	B₂	1078	1078
15	B₂	682	682

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.865
C2	0.000	0.743	-0.796
C3	0.000	-0.743	-0.796
H4	-0.914	1.248	-1.072
H5	0.914	1.248	-1.072
H6	0.914	-1.248	-1.072
H7	-0.914	-1.248	-1.072

	S1	C2	C3	H4	H5	H6	H7
S1		1.8187	1.8187	2.4781	2.4781	2.4781	2.4781
C2	1.8187		1.4856	1.0797	1.0797	2.2074	2.2074
C3	1.8187	1.4856		2.2074	2.2074	1.0797	1.0797
H4	2.4781	1.0797	2.2074		1.8271	3.0925	2.4951
H5	2.4781	1.0797	2.2074	1.8271		2.4951	3.0925
H6	2.4781	2.2074	1.0797	3.0925	2.4951		1.8271
H7	2.4781	2.2074	1.0797	2.4951	3.0925	1.8271

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	65.895	S1	C2	H4	115.125
S1	C2	H5	115.125	S1	C3	C2	65.895
S1	C3	H6	115.125	S1	C3	H7	115.125
C2	S1	C3	48.211	C2	C3	H6	117.871
C2	C3	H7	117.871	C3	C2	H4	117.871
C3	C2	H5	117.871	H4	C2	H5	115.585
H6	C3	H7	115.585

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: QCISD(T)=FULL/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)=FULL/Def2TZVPP

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)