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	hartrees
Energy at 0K	-515.118081
Energy at 298.15K	-515.125281
HF Energy	-514.580599
Nuclear repulsion energy	164.859580

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3214	3029	24.26
2	A'	3188	3003	7.15
3	A'	3140	2959	13.83
4	A'	3126	2945	29.66
5	A'	1573	1482	1.58
6	A'	1545	1455	3.83
7	A'	1317	1241	2.59
8	A'	1247	1175	1.54
9	A'	1040	980	3.71
10	A'	988	931	0.13
11	A'	905	853	2.90
12	A'	735	692	2.45
13	A'	549	517	2.32
14	A'	191	180	1.73
15	A"	3211	3026	6.22
16	A"	3141	2959	45.34
17	A"	1547	1458	0.08
18	A"	1357	1278	2.24
19	A"	1300	1225	15.33
20	A"	1239	1167	4.46
21	A"	1076	1014	0.20
22	A"	1026	966	0.28
23	A"	865	815	0.18
24	A"	720	678	1.45

Atom	x (Å)	y (Å)	z (Å)
S1	0.349	1.037	0.000
C2	-0.210	-0.295	1.141
C3	-0.210	-0.295	-1.141
C4	-0.210	-1.325	0.000
H5	-1.206	-0.098	1.545
H6	0.481	-0.494	1.961
H7	-1.206	-0.098	-1.545
H8	0.481	-0.494	-1.961
H9	-1.061	-2.014	0.000
H10	0.712	-1.911	0.000

	S1	C2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.8405	1.8405	2.4277	2.4680	2.4915	2.4680	2.4915	3.3608	2.9703
C2	1.8405		2.2814	1.5374	1.0922	1.0914	2.8706	3.1841	2.2316	2.1828
C3	1.8405	2.2814		1.5374	2.8706	3.1841	1.0922	1.0914	2.2316	2.1828
C4	2.4277	1.5374	1.5374		2.2099	2.2393	2.2099	2.2393	1.0941	1.0927
H5	2.4680	1.0922	2.8706	2.2099		1.7825	3.0891	3.9106	2.4655	3.0582
H6	2.4915	1.0914	3.1841	2.2393	1.7825		3.9106	3.9219	2.9210	2.4302
H7	2.4680	2.8706	1.0922	2.2099	3.0891	3.9106		1.7825	2.4655	3.0582
H8	2.4915	3.1841	1.0914	2.2393	3.9106	3.9219	1.7825		2.9210	2.4302
H9	3.3608	2.2316	2.2316	1.0941	2.4655	2.9210	2.4655	2.9210		1.7756
H10	2.9703	2.1828	2.1828	1.0927	3.0582	2.4302	3.0582	2.4302	1.7756

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	91.443	S1	C2	H5	112.068
S1	C2	H6	113.922	S1	C3	C4	91.443
S1	C3	H7	112.068	S1	C3	H8	113.922
C2	S1	C3	76.600	C2	C4	C3	95.803
C2	C4	H9	114.957	C2	C4	H10	111.062
C3	C4	H9	114.957	C3	C4	H10	111.062
C4	C2	H5	113.282	C4	C2	H6	115.788
C4	C3	H7	113.282	C4	C3	H8	115.788
H5	C2	H6	109.438	H7	C3	H8	109.438
H9	C4	H10	108.581

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)