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	hartrees
Energy at 0K	-476.036641
Energy at 298.15K	-476.041127
HF Energy	-475.554519
Nuclear repulsion energy	100.928786

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3191	3191
2	A₁	1547	1547
3	A₁	1167	1167
4	A₁	1088	1088
5	A₁	654	654
6	A₂	3276	3276
7	A₂	1217	1217
8	A₂	935	935
9	B₁	3288	3288
10	B₁	988	988
11	B₁	855	855
12	B₂	3187	3187
13	B₂	1518	1518
14	B₂	1120	1120
15	B₂	683	683

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.868
C2	0.000	0.744	-0.797
C3	0.000	-0.744	-0.797
H4	-0.913	1.251	-1.083
H5	0.913	1.251	-1.083
H6	0.913	-1.251	-1.083
H7	-0.913	-1.251	-1.083

	S1	C2	C3	H4	H5	H6	H7
S1		1.8236	1.8236	2.4912	2.4912	2.4912	2.4912
C2	1.8236		1.4880	1.0826	1.0826	2.2126	2.2126
C3	1.8236	1.4880		2.2126	2.2126	1.0826	1.0826
H4	2.4912	1.0826	2.2126		1.8251	3.0972	2.5023
H5	2.4912	1.0826	2.2126	1.8251		2.5023	3.0972
H6	2.4912	2.2126	1.0826	3.0972	2.5023		1.8251
H7	2.4912	2.2126	1.0826	2.5023	3.0972	1.8251

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	65.921	S1	C2	H4	115.644
S1	C2	H5	115.644	S1	C3	C2	65.921
S1	C3	H6	115.644	S1	C3	H7	115.644
C2	S1	C3	48.159	C2	C3	H6	117.933
C2	C3	H7	117.933	C3	C2	H4	117.933
C3	C2	H5	117.933	H4	C2	H5	114.898
H6	C3	H7	114.898

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: QCISD(T)=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: QCISD(T)=FULL/6-31+G**

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)