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	hartrees
Energy at 0K	-515.297813
Energy at 298.15K	-515.304940
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3195	3021	20.23
2	A'	3165	2992	7.35
3	A'	3127	2957	13.89
4	A'	3111	2941	25.85
5	A'	1540	1456	1.44
6	A'	1512	1430	2.49
7	A'	1286	1216	2.13
8	A'	1230	1163	0.79
9	A'	1008	953	2.00
10	A'	968	915	0.24
11	A'	878	830	3.34
12	A'	723	683	2.42
13	A'	546	516	2.31
14	A'	163	154	1.51
15	A"	3191	3017	5.35
16	A"	3126	2956	43.74
17	A"	1514	1432	0.21
18	A"	1337	1264	1.74
19	A"	1279	1210	9.82
20	A"	1216	1150	6.36
21	A"	1053	995	0.06
22	A"	1009	954	0.15
23	A"	836	791	0.03
24	A"	709	671	1.68

Atom	x (Å)	y (Å)	z (Å)
S1	0.331	1.043	0.000
C2	-0.200	-0.299	1.150
C3	-0.200	-0.299	-1.150
C4	-0.200	-1.330	0.000
H5	-1.190	-0.106	1.564
H6	0.502	-0.488	1.961
H7	-1.190	-0.106	-1.564
H8	0.502	-0.488	-1.961
H9	-1.047	-2.018	0.000
H10	0.722	-1.914	0.000

	S1	C2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.8452	1.8452	2.4312	2.4652	2.4938	2.4652	2.4938	3.3570	2.9825
C2	1.8452		2.3004	1.5446	1.0904	1.0890	2.8954	3.1950	2.2355	2.1865
C3	1.8452	2.3004		1.5446	2.8954	3.1950	1.0904	1.0890	2.2355	2.1865
C4	2.4312	1.5446	1.5446		2.2191	2.2465	2.2191	2.2465	1.0918	1.0910
H5	2.4652	1.0904	2.8954	2.2191		1.7798	3.1275	3.9286	2.4748	3.0611
H6	2.4938	1.0890	3.1950	2.2465	1.7798		3.9286	3.9221	2.9303	2.4345
H7	2.4652	2.8954	1.0904	2.2191	3.1275	3.9286		1.7798	2.4748	3.0611
H8	2.4938	3.1950	1.0890	2.2465	3.9286	3.9221	1.7798		2.9303	2.4345
H9	3.3570	2.2355	2.2355	1.0918	2.4748	2.9303	2.4748	2.9303		1.7717
H10	2.9825	2.1865	2.1865	1.0910	3.0611	2.4345	3.0611	2.4345	1.7717

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	91.210	S1	C2	H5	111.638
S1	C2	H6	113.901	S1	C3	C4	91.210
S1	C3	H7	111.638	S1	C3	H8	113.901
C2	S1	C3	77.123	C2	C4	C3	96.262
C2	C4	H9	114.897	C2	C4	H10	110.942
C3	C4	H9	114.897	C3	C4	H10	110.942
C4	C2	H5	113.625	C4	C2	H6	116.003
C4	C3	H7	113.625	C4	C3	H8	116.003
H5	C2	H6	109.496	H7	C3	H8	109.496
H9	C4	H10	108.515

All results from a given calculation for C₃H₆S (Thietane)

using model chemistry: CCSD/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 C3H6S (Thietane)

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

States and conformations

All results from a given calculation for C₃H₆S (Thietane)