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	hartrees
Energy at 0K	-30.355538
Energy at 298.15K	-30.362633
HF Energy	-29.865831
Nuclear repulsion energy	65.331208

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3209	3047	57.87
2	A'	3187	3025	0.69
3	A'	3121	2963	28.02
4	A'	3107	2949	34.38
5	A'	1542	1464	0.39
6	A'	1505	1429	3.84
7	A'	1291	1225	3.52
8	A'	1216	1155	1.50
9	A'	1010	959	5.41
10	A'	967	918	0.66
11	A'	877	832	6.22
12	A'	723	687	3.40
13	A'	535	508	2.99
14	A'	163	154	1.83
15	A"	3202	3040	3.93
16	A"	3120	2962	74.77
17	A"	1513	1437	0.00
18	A"	1333	1265	1.71
19	A"	1266	1202	14.91
20	A"	1220	1159	6.85
21	A"	1052	998	0.20
22	A"	1009	958	0.77
23	A"	842	800	0.28
24	A"	711	675	1.68

Atom	x (Å)	y (Å)	z (Å)
S1	0.400	1.027	0.000
C2	-0.243	-0.289	1.150
C3	-0.243	-0.289	-1.150
C4	-0.243	-1.340	0.000
H5	-1.251	-0.015	1.505
H6	0.426	-0.470	2.007
H7	-1.251	-0.015	-1.505
H8	0.426	-0.470	-2.007
H9	-1.090	-2.049	0.000
H10	0.706	-1.902	0.000

	S1	C2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.8613	1.8613	2.4527	2.4644	2.5039	2.4644	2.5039	3.4179	2.9444
C2	1.8613		2.2993	1.5582	1.1030	1.1023	2.8523	3.2319	2.2672	2.1966
C3	1.8613	2.2993		1.5582	2.8523	3.2319	1.1030	1.1023	2.2672	2.1966
C4	2.4527	1.5582	1.5582		2.2442	2.2876	2.2442	2.2876	1.1049	1.1027
H5	2.4644	1.1030	2.8523	2.2442		1.8082	3.0091	3.9178	2.5354	3.1071
H6	2.5039	1.1023	3.2319	2.2876	1.8082		3.9178	4.0144	2.9699	2.4815
H7	2.4644	2.8523	1.1030	2.2442	3.0091	3.9178		1.8082	2.5354	3.1071
H8	2.5039	3.2319	1.1023	2.2876	3.9178	4.0144	1.8082		2.9699	2.4815
H9	3.4179	2.2672	2.2672	1.1049	2.5354	2.9699	2.5354	2.9699		1.8026
H10	2.9444	2.1966	2.1966	1.1027	3.1071	2.4815	3.1071	2.4815	1.8026

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	91.217	S1	C2	H5	109.814
S1	C2	H6	112.796	S1	C3	C4	91.217
S1	C3	H7	109.814	S1	C3	H8	112.796
C2	S1	C3	76.290	C2	C4	C3	95.088
C2	C4	H9	115.662	C2	C4	H10	110.104
C3	C4	H9	115.662	C3	C4	H10	110.104
C4	C2	H5	113.885	C4	C2	H6	117.569
C4	C3	H7	113.885	C4	C3	H8	117.569
H5	C2	H6	110.157	H7	C3	H8	110.157
H9	C4	H10	109.480

All results from a given calculation for C₃H₆S (Thietane)

using model chemistry: MP2/CEP-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/CEP-31G*

States and conformations

All results from a given calculation for C₃H₆S (Thietane)