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	hartrees
Energy at 0K	-476.105842
Energy at 298.15K	-476.110297
HF Energy	-475.564218
Nuclear repulsion energy	100.820296

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3171	3171
2	A₁	1506	1506
3	A₁	1147	1147
4	A₁	1056	1056
5	A₁	649	649
6	A₂	3257	3257
7	A₂	1202	1202
8	A₂	906	906
9	B₁	3271	3271
10	B₁	965	965
11	B₁	836	836
12	B₂	3168	3168
13	B₂	1481	1481
14	B₂	1081	1081
15	B₂	685	685

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.868
C2	0.000	0.744	-0.800
C3	0.000	-0.744	-0.800
H4	-0.917	1.255	-1.074
H5	0.917	1.255	-1.074
H6	0.917	-1.255	-1.074
H7	-0.917	-1.255	-1.074

	S1	C2	C3	H4	H5	H6	H7
S1		1.8264	1.8264	2.4876	2.4876	2.4876	2.4876
C2	1.8264		1.4889	1.0844	1.0844	2.2163	2.2163
C3	1.8264	1.4889		2.2163	2.2163	1.0844	1.0844
H4	2.4876	1.0844	2.2163		1.8332	3.1075	2.5092
H5	2.4876	1.0844	2.2163	1.8332		2.5092	3.1075
H6	2.4876	2.2163	1.0844	3.1075	2.5092		1.8332
H7	2.4876	2.2163	1.0844	2.5092	3.1075	1.8332

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	65.946	S1	C2	H4	115.038
S1	C2	H5	115.038	S1	C3	C2	65.946
S1	C3	H6	115.038	S1	C3	H7	115.038
C2	S1	C3	48.108	C2	C3	H6	118.062
C2	C3	H7	118.062	C3	C2	H4	118.062
C3	C2	H5	118.062	H4	C2	H5	115.397
H6	C3	H7	115.397

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: CCSD(T)/6-31G(2df,p)

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: CCSD(T)/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)