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	hartrees
Energy at 0K	-476.036837
Energy at 298.15K	-476.041312
HF Energy	-475.582283
Nuclear repulsion energy	100.681910

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3125	3008
2	A₁	1525	1468
3	A₁	1159	1115
4	A₁	1078	1038
5	A₁	652	628
6	A₂	3208	3088
7	A₂	1209	1164
8	A₂	937	901
9	B₁	3222	3101
10	B₁	991	954
11	B₁	854	822
12	B₂	3121	3004
13	B₂	1494	1439
14	B₂	1107	1065
15	B₂	673	648

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.870
C2	0.000	0.745	-0.799
C3	0.000	-0.745	-0.799
H4	-0.919	1.255	-1.081
H5	0.919	1.255	-1.081
H6	0.919	-1.255	-1.081
H7	-0.919	-1.255	-1.081

	S1	C2	C3	H4	H5	H6	H7
S1		1.8275	1.8275	2.4951	2.4951	2.4951	2.4951
C2	1.8275		1.4906	1.0882	1.0882	2.2193	2.2193
C3	1.8275	1.4906		2.2193	2.2193	1.0882	1.0882
H4	2.4951	1.0882	2.2193		1.8383	3.1111	2.5099
H5	2.4951	1.0882	2.2193	1.8383		2.5099	3.1111
H6	2.4951	2.2193	1.0882	3.1111	2.5099		1.8383
H7	2.4951	2.2193	1.0882	2.5099	3.1111	1.8383

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	65.932	S1	C2	H4	115.328
S1	C2	H5	115.328	S1	C3	C2	65.932
S1	C3	H6	115.328	S1	C3	H7	115.328
C2	S1	C3	48.136	C2	C3	H6	117.927
C2	C3	H7	117.927	C3	C2	H4	117.927
C3	C2	H5	117.927	H4	C2	H5	115.264
H6	C3	H7	115.264

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: CCSD(T)/6-311G*

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)/6-311G*

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)