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	hartrees
Energy at 0K	-515.139841
Energy at 298.15K	-515.146989
HF Energy	-514.580500
Nuclear repulsion energy	164.038653

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3171	3020	32.41
2	A'	3138	2988	11.91
3	A'	3107	2959	14.97
4	A'	3088	2941	32.07
5	A'	1565	1490	1.49
6	A'	1535	1462	3.23
7	A'	1312	1249	2.63
8	A'	1240	1181	1.10
9	A'	1030	981	3.31
10	A'	977	931	0.13
11	A'	890	848	2.61
12	A'	730	695	2.51
13	A'	553	527	2.11
14	A'	169	161	1.58
15	A"	3167	3016	8.09
16	A"	3106	2958	56.27
17	A"	1539	1466	0.16
18	A"	1352	1288	1.82
19	A"	1291	1229	14.62
20	A"	1235	1176	5.44
21	A"	1068	1017	0.12
22	A"	1019	970	0.26
23	A"	859	818	0.06
24	A"	708	675	1.35

Atom	x (Å)	y (Å)	z (Å)
S1	0.326	1.049	0.000
C2	-0.196	-0.301	1.149
C3	-0.196	-0.301	-1.149
C4	-0.196	-1.333	0.000
H5	-1.191	-0.121	1.569
H6	0.510	-0.494	1.961
H7	-1.191	-0.121	-1.569
H8	0.510	-0.494	-1.961
H9	-1.047	-2.025	0.000
H10	0.728	-1.921	0.000

	S1	C2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.8482	1.8482	2.4389	2.4766	2.5025	2.4766	2.5025	3.3673	2.9977
C2	1.8482		2.2973	1.5441	1.0950	1.0940	2.8996	3.1951	2.2397	2.1908
C3	1.8482	2.2973		1.5441	2.8996	3.1951	1.0950	1.0940	2.2397	2.1908
C4	2.4389	1.5441	1.5441		2.2183	2.2473	2.2183	2.2473	1.0970	1.0959
H5	2.4766	1.0950	2.8996	2.2183		1.7854	3.1380	3.9367	2.4716	3.0640
H6	2.5025	1.0940	3.1951	2.2473	1.7854		3.9367	3.9229	2.9355	2.4356
H7	2.4766	2.8996	1.0950	2.2183	3.1380	3.9367		1.7854	2.4716	3.0640
H8	2.5025	3.1951	1.0940	2.2473	3.9367	3.9229	1.7854		2.9355	2.4356
H9	3.3673	2.2397	2.2397	1.0970	2.4716	2.9355	2.4716	2.9355		1.7785
H10	2.9977	2.1908	2.1908	1.0959	3.0640	2.4356	3.0640	2.4356	1.7785

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	91.486	S1	C2	H5	112.037
S1	C2	H6	114.081	S1	C3	C4	91.486
S1	C3	H7	112.037	S1	C3	H8	114.081
C2	S1	C3	76.850	C2	C4	C3	96.130
C2	C4	H9	114.942	C2	C4	H10	111.029
C3	C4	H9	114.942	C3	C4	H10	111.029
C4	C2	H5	113.301	C4	C2	H6	115.777
C4	C3	H7	113.301	C4	C3	H8	115.777
H5	C2	H6	109.298	H7	C3	H8	109.298
H9	C4	H10	108.398

All results from a given calculation for C₃H₆S (Thietane)

using model chemistry: QCISD/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: QCISD/6-31G*

States and conformations

All results from a given calculation for C₃H₆S (Thietane)