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	hartrees
Energy at 0K	-515.173783
Energy at 298.15K	-515.180984
HF Energy	-514.591258
Nuclear repulsion energy	164.973063

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3233	3037	23.71
2	A'	3208	3013	7.32
3	A'	3155	2963	19.27
4	A'	3140	2949	35.97
5	A'	1557	1462	1.07
6	A'	1526	1433	4.22
7	A'	1309	1229	2.44
8	A'	1230	1155	1.49
9	A'	1036	973	3.50
10	A'	978	919	0.20
11	A'	900	845	2.19
12	A'	724	680	2.13
13	A'	543	510	2.45
14	A'	198	186	1.61
15	A"	3230	3033	7.65
16	A"	3155	2963	51.11
17	A"	1529	1436	0.04
18	A"	1344	1262	2.93
19	A"	1289	1211	14.02
20	A"	1228	1153	2.57
21	A"	1058	993	0.21
22	A"	1013	952	0.38
23	A"	858	806	0.04
24	A"	712	669	1.36

Atom	x (Å)	y (Å)	z (Å)
S1	0.432	0.999	0.000
C2	-0.261	-0.277	1.132
C3	-0.261	-0.277	-1.132
C4	-0.261	-1.314	0.000
H5	-1.258	0.022	1.453
H6	0.364	-0.464	2.000
H7	-1.258	0.022	-1.453
H8	0.364	-0.464	-2.000
H9	-1.089	-2.024	0.000
H10	0.678	-1.864	0.000

	S1	C2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.8407	1.8407	2.4146	2.4331	2.4793	2.4331	2.4793	3.3835	2.8737
C2	1.8407		2.2631	1.5350	1.0885	1.0869	2.7861	3.1993	2.2398	2.1638
C3	1.8407	2.2631		1.5350	2.7861	3.1993	1.0885	1.0869	2.2398	2.1638
C4	2.4146	1.5350	1.5350		2.2109	2.2617	2.2109	2.2617	1.0902	1.0884
H5	2.4331	1.0885	2.7861	2.2109		1.7791	2.9063	3.8462	2.5144	3.0681
H6	2.4793	1.0869	3.1993	2.2617	1.7791		3.8462	4.0008	2.9232	2.4617
H7	2.4331	2.7861	1.0885	2.2109	2.9063	3.8462		1.7791	2.5144	3.0681
H8	2.4793	3.1993	1.0869	2.2617	3.8462	4.0008	1.7791		2.9232	2.4617
H9	3.3835	2.2398	2.2398	1.0902	2.5144	2.9232	2.5144	2.9232		1.7741
H10	2.8737	2.1638	2.1638	1.0884	3.0681	2.4617	3.0681	2.4617	1.7741

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	90.869	S1	C2	H5	109.641
S1	C2	H6	113.221	S1	C3	C4	90.869
S1	C3	H7	109.641	S1	C3	H8	113.221
C2	S1	C3	75.866	C2	C4	C3	94.980
C2	C4	H9	116.083	C2	C4	H10	109.973
C3	C4	H9	116.083	C3	C4	H10	109.973
C4	C2	H5	113.769	C4	C2	H6	118.216
C4	C3	H7	113.769	C4	C3	H8	118.216
H5	C2	H6	109.741	H7	C3	H8	109.741
H9	C4	H10	109.043

All results from a given calculation for C₃H₆S (Thietane)

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

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/6-31+G**

States and conformations

All results from a given calculation for C₃H₆S (Thietane)