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	hartrees
Energy at 0K	-30.400197
Energy at 298.15K	-30.407357
HF Energy	-29.874398
Nuclear repulsion energy	65.700872

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3182	3032	41.20
2	A'	3157	3008	5.13
3	A'	3099	2953	26.99
4	A'	3085	2939	40.60
5	A'	1546	1473	0.67
6	A'	1517	1445	4.88
7	A'	1292	1231	3.04
8	A'	1219	1161	1.60
9	A'	1021	972	4.00
10	A'	965	919	0.14
11	A'	884	842	2.63
12	A'	712	679	3.00
13	A'	537	511	2.94
14	A'	198	189	1.92
15	A"	3177	3027	9.92
16	A"	3099	2953	63.43
17	A"	1518	1447	0.04
18	A"	1332	1269	2.06
19	A"	1270	1210	15.74
20	A"	1210	1153	4.97
21	A"	1047	998	0.27
22	A"	998	951	0.51
23	A"	841	801	0.03
24	A"	703	669	1.76

Atom	x (Å)	y (Å)	z (Å)
S1	0.446	1.004	0.000
C2	-0.271	-0.277	1.141
C3	-0.271	-0.277	-1.141
C4	-0.271	-1.325	0.000
H5	-1.273	0.032	1.455
H6	0.355	-0.469	2.017
H7	-1.273	0.032	-1.455
H8	0.355	-0.469	-2.017
H9	-1.105	-2.036	0.000
H10	0.677	-1.873	0.000

	S1	C2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.8588	1.8588	2.4361	2.4529	2.4995	2.4529	2.4995	3.4126	2.8855
C2	1.8588		2.2824	1.5494	1.0949	1.0934	2.8001	3.2256	2.2570	2.1786
C3	1.8588	2.2824		1.5494	2.8001	3.2256	1.0949	1.0934	2.2570	2.1786
C4	2.4361	1.5494	1.5494		2.2276	2.2788	2.2276	2.2788	1.0968	1.0942
H5	2.4529	1.0949	2.8001	2.2276		1.7935	2.9100	3.8675	2.5339	3.0896
H6	2.4995	1.0934	3.2256	2.2788	1.7935		3.8675	4.0348	2.9422	2.4786
H7	2.4529	2.8001	1.0949	2.2276	2.9100	3.8675		1.7935	2.5339	3.0896
H8	2.4995	3.2256	1.0934	2.2788	3.8675	4.0348	1.7935		2.9422	2.4786
H9	3.4126	2.2570	2.2570	1.0968	2.5339	2.9422	2.5339	2.9422		1.7896
H10	2.8855	2.1786	2.1786	1.0942	3.0896	2.4786	3.0896	2.4786	1.7896

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	90.787	S1	C2	H5	109.562
S1	C2	H6	113.129	S1	C3	C4	90.787
S1	C3	H7	109.562	S1	C3	H8	113.129
C2	S1	C3	75.749	C2	C4	C3	94.876
C2	C4	H9	116.015	C2	C4	H10	109.797
C3	C4	H9	116.015	C3	C4	H10	109.797
C4	C2	H5	113.684	C4	C2	H6	118.116
C4	C3	H7	113.684	C4	C3	H8	118.116
H5	C2	H6	110.083	H7	C3	H8	110.083
H9	C4	H10	109.528

All results from a given calculation for C₃H₆S (Thietane)

using model chemistry: MP2/CEP-121G*

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-121G*

States and conformations

All results from a given calculation for C₃H₆S (Thietane)