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	hartrees
Energy at 0K	-515.250497
Energy at 298.15K	-515.257647
HF Energy	-514.602770
Nuclear repulsion energy	164.807980

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3215	3037	13.68
2	A'	3191	3014	4.46
3	A'	3135	2961	12.10
4	A'	3124	2950	24.86
5	A'	1528	1443	1.44
6	A'	1503	1419	3.27
7	A'	1270	1199	2.20
8	A'	1222	1154	1.04
9	A'	1009	953	2.24
10	A'	973	919	0.32
11	A'	885	836	3.60
12	A'	720	680	2.49
13	A'	533	504	2.65
14	A'	187	176	1.61
15	A"	3211	3033	4.31
16	A"	3136	2962	34.36
17	A"	1502	1419	0.09
18	A"	1322	1248	1.79
19	A"	1270	1200	10.18
20	A"	1202	1136	5.75
21	A"	1049	990	0.11
22	A"	1008	952	0.17
23	A"	833	787	0.11
24	A"	711	671	1.83

Atom	x (Å)	y (Å)	z (Å)
S1	0.359	1.031	0.000
C2	-0.217	-0.292	1.144
C3	-0.217	-0.292	-1.144
C4	-0.217	-1.324	0.000
H5	-1.209	-0.076	1.540
H6	0.470	-0.487	1.966
H7	-1.209	-0.076	-1.540
H8	0.470	-0.487	-1.966
H9	-1.065	-2.010	0.000
H10	0.704	-1.907	0.000

	S1	C2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.8411	1.8411	2.4237	2.4605	2.4863	2.4605	2.4863	3.3576	2.9579
C2	1.8411		2.2881	1.5405	1.0901	1.0888	2.8696	3.1909	2.2316	2.1829
C3	1.8411	2.2881		1.5405	2.8696	3.1909	1.0901	1.0888	2.2316	2.1829
C4	2.4237	1.5405	1.5405		2.2165	2.2443	2.2165	2.2443	1.0911	1.0901
H5	2.4605	1.0901	2.8696	2.2165		1.7807	3.0796	3.9090	2.4765	3.0634
H6	2.4863	1.0888	3.1909	2.2443	1.7807		3.9090	3.9319	2.9225	2.4363
H7	2.4605	2.8696	1.0901	2.2165	3.0796	3.9090		1.7807	2.4765	3.0634
H8	2.4863	3.1909	1.0888	2.2443	3.9090	3.9319	1.7807		2.9225	2.4363
H9	3.3576	2.2316	2.2316	1.0911	2.4765	2.9225	2.4765	2.9225		1.7721
H10	2.9579	2.1829	2.1829	1.0901	3.0634	2.4363	3.0634	2.4363	1.7721

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	91.128	S1	C2	H5	111.578
S1	C2	H6	113.619	S1	C3	C4	91.128
S1	C3	H7	111.578	S1	C3	H8	113.619
C2	S1	C3	76.836	C2	C4	C3	95.913
C2	C4	H9	114.918	C2	C4	H10	110.995
C3	C4	H9	114.918	C3	C4	H10	110.995
C4	C2	H5	113.726	C4	C2	H6	116.140
C4	C3	H7	113.726	C4	C3	H8	116.140
H5	C2	H6	109.625	H7	C3	H8	109.625
H9	C4	H10	108.669

All results from a given calculation for C₃H₆S (Thietane)

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for C₃H₆S (Thietane)