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	hartrees
Energy at 0K	-515.166356
Energy at 298.15K	-515.173550
HF Energy	-514.623050
Nuclear repulsion energy	164.760849

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3186	3028	33.51
2	A'	3161	3004	4.51
3	A'	3108	2953	25.11
4	A'	3097	2943	32.10
5	A'	1547	1470	0.85
6	A'	1520	1445	5.63
7	A'	1303	1238	3.82
8	A'	1231	1170	2.11
9	A'	1033	982	8.71
10	A'	977	929	0.32
11	A'	893	849	3.14
12	A'	724	688	2.57
13	A'	544	517	2.63
14	A'	195	186	1.55
15	A"	3180	3022	8.09
16	A"	3108	2953	53.06
17	A"	1519	1444	0.12
18	A"	1334	1268	2.96
19	A"	1286	1222	21.36
20	A"	1220	1160	4.50
21	A"	1067	1014	0.26
22	A"	1012	961	0.34
23	A"	857	814	0.10
24	A"	709	674	1.21

Atom	x (Å)	y (Å)	z (Å)
S1	0.358	1.034	0.000
C2	-0.216	-0.292	1.141
C3	-0.216	-0.292	-1.141
C4	-0.216	-1.326	0.000
H5	-1.212	-0.088	1.538
H6	0.473	-0.493	1.963
H7	-1.212	-0.088	-1.538
H8	0.473	-0.493	-1.963
H9	-1.069	-2.011	0.000
H10	0.706	-1.913	0.000

	S1	C2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.8416	1.8416	2.4296	2.4676	2.4894	2.4676	2.4894	3.3628	2.9677
C2	1.8416		2.2825	1.5402	1.0916	1.0908	2.8655	3.1858	2.2324	2.1859
C3	1.8416	2.2825		1.5402	2.8655	3.1858	1.0916	1.0908	2.2324	2.1859
C4	2.4296	1.5402	1.5402		2.2115	2.2411	2.2115	2.2411	1.0936	1.0922
H5	2.4676	1.0916	2.8655	2.2115		1.7848	3.0752	3.9060	2.4661	3.0615
H6	2.4894	1.0908	3.1858	2.2411	1.7848		3.9060	3.9253	2.9216	2.4338
H7	2.4676	2.8655	1.0916	2.2115	3.0752	3.9060		1.7848	2.4661	3.0615
H8	2.4894	3.1858	1.0908	2.2411	3.9060	3.9253	1.7848		2.9216	2.4338
H9	3.3628	2.2324	2.2324	1.0936	2.4661	2.9216	2.4661	2.9216		1.7772
H10	2.9677	2.1859	2.1859	1.0922	3.0615	2.4338	3.0615	2.4338	1.7772

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	91.405	S1	C2	H5	112.001
S1	C2	H6	113.715	S1	C3	C4	91.405
S1	C3	H7	112.001	S1	C3	H8	113.715
C2	S1	C3	76.591	C2	C4	C3	95.631
C2	C4	H9	114.845	C2	C4	H10	111.133
C3	C4	H9	114.845	C3	C4	H10	111.133
C4	C2	H5	113.243	C4	C2	H6	115.760
C4	C3	H7	113.243	C4	C3	H8	115.760
H5	C2	H6	109.736	H7	C3	H8	109.736
H9	C4	H10	108.794

All results from a given calculation for C₃H₆S (Thietane)

using model chemistry: MP2/6-311G*

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 C3H6S (Thietane)

using model chemistry: MP2/6-311G*

States and conformations

All results from a given calculation for C₃H₆S (Thietane)