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	hartrees
Energy at 0K	-515.428469
Energy at 298.15K	-515.435644
HF Energy	-514.656864
Nuclear repulsion energy	165.604228

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3185	3024	17.30
2	A'	3159	2999	10.72
3	A'	3119	2961	18.58
4	A'	3109	2951	32.48
5	A'	1526	1449	0.80
6	A'	1501	1425	4.76
7	A'	1265	1201	1.23
8	A'	1222	1160	1.08
9	A'	1008	957	2.00
10	A'	972	923	0.33
11	A'	890	845	2.64
12	A'	716	679	2.02
13	A'	532	505	2.27
14	A'	197	187	1.36
15	A"	3182	3021	11.90
16	A"	3122	2964	38.98
17	A"	1500	1424	0.06
18	A"	1319	1252	2.34
19	A"	1270	1206	9.11
20	A"	1200	1139	5.44
21	A"	1048	995	0.15
22	A"	1006	955	0.22
23	A"	831	789	0.04
24	A"	707	671	1.15

Atom	x (Å)	y (Å)	z (Å)
S1	0.366	1.025	0.000
C2	-0.221	-0.291	1.138
C3	-0.221	-0.291	-1.138
C4	-0.221	-1.316	0.000
H5	-1.209	-0.072	1.524
H6	0.457	-0.490	1.957
H7	-1.209	-0.072	-1.524
H8	0.457	-0.490	-1.957
H9	-1.063	-1.999	0.000
H10	0.696	-1.892	0.000

	S1	C2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.8360	1.8360	2.4134	2.4506	2.4767	2.4506	2.4767	3.3444	2.9361
C2	1.8360		2.2760	1.5315	1.0832	1.0817	2.8479	3.1746	2.2184	2.1682
C3	1.8360	2.2760		1.5315	2.8479	3.1746	1.0832	1.0817	2.2184	2.1682
C4	2.4134	1.5315	1.5315		2.2014	2.2297	2.2014	2.2297	1.0844	1.0834
H5	2.4506	1.0832	2.8479	2.2014		1.7715	3.0480	3.8817	2.4609	3.0441
H6	2.4767	1.0817	3.1746	2.2297	1.7715		3.8817	3.9140	2.9013	2.4193
H7	2.4506	2.8479	1.0832	2.2014	3.0480	3.8817		1.7715	2.4609	3.0441
H8	2.4767	3.1746	1.0817	2.2297	3.8817	3.9140	1.7715		2.9013	2.4193
H9	3.3444	2.2184	2.2184	1.0844	2.4609	2.9013	2.4609	2.9013		1.7630
H10	2.9361	2.1682	2.1682	1.0834	3.0441	2.4193	3.0441	2.4193	1.7630

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	91.098	S1	C2	H5	111.553
S1	C2	H6	113.643	S1	C3	C4	91.098
S1	C3	H7	111.553	S1	C3	H8	113.643
C2	S1	C3	76.605	C2	C4	C3	95.983
C2	C4	H9	114.923	C2	C4	H10	110.859
C3	C4	H9	114.923	C3	C4	H10	110.859
C4	C2	H5	113.585	C4	C2	H6	116.062
C4	C3	H7	113.585	C4	C3	H8	116.062
H5	C2	H6	109.826	H7	C3	H8	109.826
H9	C4	H10	108.831

All results from a given calculation for C₃H₆S (Thietane)

using model chemistry: MP2=FULL/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 C3H6S (Thietane)

using model chemistry: MP2=FULL/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₆S (Thietane)