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	hartrees
Energy at 0K	-515.130194
Energy at 298.15K	-515.137364
HF Energy	-514.580440
Nuclear repulsion energy	164.212947

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3213	3016	26.09
2	A'	3179	2984	10.50
3	A'	3148	2955	11.86
4	A'	3126	2934	30.35
5	A'	1577	1480	1.09
6	A'	1545	1450	3.36
7	A'	1318	1237	1.77
8	A'	1245	1169	1.25
9	A'	1040	976	3.13
10	A'	984	923	0.08
11	A'	896	841	2.81
12	A'	735	690	2.62
13	A'	555	521	2.53
14	A'	171	160	1.78
15	A"	3210	3013	5.98
16	A"	3147	2954	48.80
17	A"	1551	1456	0.03
18	A"	1359	1275	1.89
19	A"	1298	1218	11.98
20	A"	1246	1170	4.13
21	A"	1077	1011	0.16
22	A"	1022	959	0.38
23	A"	864	811	0.07
24	A"	719	675	1.55

Atom	x (Å)	y (Å)	z (Å)
S1	0.380	1.024	0.000
C2	-0.230	-0.292	1.143
C3	-0.230	-0.292	-1.143
C4	-0.230	-1.327	0.000
H5	-1.225	-0.033	1.511
H6	0.439	-0.465	1.987
H7	-1.225	-0.033	-1.511
H8	0.439	-0.465	-1.987
H9	-1.065	-2.035	0.000
H10	0.706	-1.890	0.000

	S1	C2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.8462	1.8462	2.4285	2.4451	2.4836	2.4451	2.4836	3.3828	2.9323
C2	1.8462		2.2855	1.5418	1.0923	1.0909	2.8462	3.2049	2.2453	2.1768
C3	1.8462	2.2855		1.5418	2.8462	3.2049	1.0923	1.0909	2.2453	2.1768
C4	2.4285	1.5418	1.5418		2.2242	2.2665	2.2242	2.2665	1.0947	1.0931
H5	2.4451	1.0923	2.8462	2.2242		1.7838	3.0225	3.8977	2.5131	3.0763
H6	2.4836	1.0909	3.2049	2.2665	1.7838		3.8977	3.9737	2.9449	2.4596
H7	2.4451	2.8462	1.0923	2.2242	3.0225	3.8977		1.7838	2.5131	3.0763
H8	2.4836	3.2049	1.0909	2.2665	3.8977	3.9737	1.7838		2.9449	2.4596
H9	3.3828	2.2453	2.2453	1.0947	2.5131	2.9449	2.5131	2.9449		1.7773
H10	2.9323	2.1768	2.1768	1.0931	3.0763	2.4596	3.0763	2.4596	1.7773

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	91.124	S1	C2	H5	109.961
S1	C2	H6	112.938	S1	C3	C4	91.124
S1	C3	H7	109.961	S1	C3	H8	112.938
C2	S1	C3	76.479	C2	C4	C3	95.662
C2	C4	H9	115.743	C2	C4	H10	110.245
C3	C4	H9	115.743	C3	C4	H10	110.245
C4	C2	H5	114.129	C4	C2	H6	117.820
C4	C3	H7	114.129	C4	C3	H8	117.820
H5	C2	H6	109.587	H7	C3	H8	109.587
H9	C4	H10	108.658

All results from a given calculation for C₃H₆S (Thietane)

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

All results from a given calculation for C₃H₆S (Thietane)