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	hartrees
Energy at 0K	-515.147048
Energy at 298.15K
HF Energy	-514.591534
Nuclear repulsion energy	164.842402

Atom	x (Å)	y (Å)	z (Å)
S1	0.433	1.001	0.000
C2	-0.260	-0.273	1.133
C3	-0.260	-0.273	-1.133
C4	-0.260	-1.311	0.000
H5	-1.267	-0.004	1.454
H6	0.355	-0.494	2.002
H7	-1.267	-0.004	-1.454
H8	0.355	-0.494	-2.002
H9	-1.091	-2.019	0.000
H10	0.678	-1.865	0.000

	S1	C2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.8405	1.8405	2.4144	2.4523	2.4998	2.4523	2.4998	3.3833	2.8768
C2	1.8405		2.2655	1.5367	1.0899	1.0880	2.7887	3.2023	2.2413	2.1676
C3	1.8405	2.2655		1.5367	2.7887	3.2023	1.0899	1.0880	2.2413	2.1676
C4	2.4144	1.5367	1.5367		2.1990	2.2486	2.1990	2.2486	1.0913	1.0896
H5	2.4523	1.0899	2.7887	2.1990		1.7806	2.9085	3.8492	2.4914	3.0591
H6	2.4998	1.0880	3.2023	2.2486	1.7806		3.8492	4.0040	2.9032	2.4480
H7	2.4523	2.7887	1.0899	2.1990	2.9085	3.8492		1.7806	2.4914	3.0591
H8	2.4998	3.2023	1.0880	2.2486	3.8492	4.0040	1.7806		2.9032	2.4480
H9	3.3833	2.2413	2.2413	1.0913	2.4914	2.9032	2.4914	2.9032		1.7756
H10	2.8768	2.1676	2.1676	1.0896	3.0591	2.4480	3.0591	2.4480	1.7756

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	90.812	S1	C2	H5	111.010
S1	C2	H6	114.766	S1	C3	C4	90.812
S1	C3	H7	111.010	S1	C3	H8	114.766
C2	S1	C3	75.971	C2	C4	C3	94.977
C2	C4	H9	116.008	C2	C4	H10	110.078
C3	C4	H9	116.008	C3	C4	H10	110.078
C4	C2	H5	112.582	C4	C2	H6	116.869
C4	C3	H7	112.582	C4	C3	H8	116.869
H5	C2	H6	109.692	H7	C3	H8	109.692
H9	C4	H10	109.007

All results from a given calculation for C₃H₆S (Thietane)

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

States and conformations

All results from a given calculation for C₃H₆S (Thietane)