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	hartrees
Energy at 0K	-515.167036
Energy at 298.15K	-515.174245
HF Energy	-514.589830
Nuclear repulsion energy	165.084590

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3245	3032	26.91
2	A'	3220	3009	6.08
3	A'	3166	2958	15.90
4	A'	3153	2946	29.99
5	A'	1571	1468	1.53
6	A'	1540	1439	2.69
7	A'	1313	1227	2.75
8	A'	1245	1163	1.38
9	A'	1039	971	2.91
10	A'	986	921	0.06
11	A'	903	844	2.34
12	A'	729	682	2.19
13	A'	544	508	2.43
14	A'	194	182	1.72
15	A"	3241	3028	6.27
16	A"	3166	2958	47.35
17	A"	1544	1443	0.40
18	A"	1355	1266	1.51
19	A"	1298	1212	11.09
20	A"	1240	1159	4.13
21	A"	1076	1006	0.21
22	A"	1019	952	0.26
23	A"	858	802	0.13
24	A"	719	672	1.65

Atom	x (Å)	y (Å)	z (Å)
S1	0.427	1.000	0.000
C2	-0.259	-0.278	1.131
C3	-0.259	-0.278	-1.131
C4	-0.259	-1.314	0.000
H5	-1.254	0.017	1.456
H6	0.369	-0.464	1.998
H7	-1.254	0.017	-1.456
H8	0.369	-0.464	-1.998
H9	-1.083	-2.026	0.000
H10	0.682	-1.861	0.000

	S1	C2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.8392	1.8392	2.4136	2.4314	2.4774	2.4314	2.4774	3.3821	2.8726
C2	1.8392		2.2622	1.5339	1.0879	1.0862	2.7876	3.1966	2.2396	2.1608
C3	1.8392	2.2622		1.5339	2.7876	3.1966	1.0879	1.0862	2.2396	2.1608
C4	2.4136	1.5339	1.5339		2.2095	2.2601	2.2095	2.2601	1.0893	1.0876
H5	2.4314	1.0879	2.7876	2.2095		1.7776	2.9119	3.8463	2.5147	3.0647
H6	2.4774	1.0862	3.1966	2.2601	1.7776		3.8463	3.9955	2.9225	2.4578
H7	2.4314	2.7876	1.0879	2.2095	2.9119	3.8463		1.7776	2.5147	3.0647
H8	2.4774	3.1966	1.0862	2.2601	3.8463	3.9955	1.7776		2.9225	2.4578
H9	3.3821	2.2396	2.2396	1.0893	2.5147	2.9225	2.5147	2.9225		1.7720
H10	2.8726	2.1608	2.1608	1.0876	3.0647	2.4578	3.0647	2.4578	1.7720

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	90.914	S1	C2	H5	109.650
S1	C2	H6	113.223	S1	C3	C4	90.914
S1	C3	H7	109.650	S1	C3	H8	113.223
C2	S1	C3	75.904	C2	C4	C3	95.019
C2	C4	H9	116.211	C2	C4	H10	109.858
C3	C4	H9	116.211	C3	C4	H10	109.858
C4	C2	H5	113.778	C4	C2	H6	118.215
C4	C3	H7	113.778	C4	C3	H8	118.215
H5	C2	H6	109.695	H7	C3	H8	109.695
H9	C4	H10	108.973

All results from a given calculation for C₃H₆S (Thietane)

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G**

States and conformations

All results from a given calculation for C₃H₆S (Thietane)