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	hartrees
Energy at 0K	-476.192755
Energy at 298.15K	-476.197190
HF Energy	-475.611601
Nuclear repulsion energy	100.749324

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3136	3032
2	A₁	1499	1449
3	A₁	1135	1098
4	A₁	1043	1008
5	A₁	635	614
6	A₂	3219	3112
7	A₂	1194	1154
8	A₂	893	864
9	B₁	3233	3125
10	B₁	953	921
11	B₁	828	801
12	B₂	3132	3028
13	B₂	1472	1423
14	B₂	1066	1030
15	B₂	668	645

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.870
C2	0.000	0.743	-0.803
C3	0.000	-0.743	-0.803
H4	-0.917	1.252	-1.073
H5	0.917	1.252	-1.073
H6	0.917	-1.252	-1.073
H7	-0.917	-1.252	-1.073

	S1	C2	C3	H4	H5	H6	H7
S1		1.8306	1.8306	2.4866	2.4866	2.4866	2.4866
C2	1.8306		1.4863	1.0828	1.0828	2.2120	2.2120
C3	1.8306	1.4863		2.2120	2.2120	1.0828	1.0828
H4	2.4866	1.0828	2.2120		1.8343	3.1032	2.5030
H5	2.4866	1.0828	2.2120	1.8343		2.5030	3.1032
H6	2.4866	2.2120	1.0828	3.1032	2.5030		1.8343
H7	2.4866	2.2120	1.0828	2.5030	3.1032	1.8343

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	66.049	S1	C2	H4	114.742
S1	C2	H5	114.742	S1	C3	C2	66.049
S1	C3	H6	114.742	S1	C3	H7	114.742
C2	S1	C3	47.903	C2	C3	H6	117.998
C2	C3	H7	117.998	C3	C2	H4	117.998
C3	C2	H5	117.998	H4	C2	H5	115.773
H6	C3	H7	115.773

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: QCISD(T)/aug-cc-pVTZ

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)/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)