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	hartrees
Energy at 0K	-515.347079
Energy at 298.15K
Nuclear repulsion energy	165.089168

Atom	x (Å)	y (Å)	z (Å)
S1	0.439	0.993	0.000
C2	-0.266	-0.274	1.132
C3	-0.266	-0.274	-1.132
C4	-0.266	-1.312	0.000
H5	-1.263	0.031	1.442
H6	0.354	-0.463	2.003
H7	-1.263	0.031	-1.442
H8	0.354	-0.463	-2.003
H9	-1.091	-2.023	0.000
H10	0.677	-1.855	0.000

	S1	C2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.8392	1.8392	2.4109	2.4298	2.4780	2.4298	2.4780	3.3825	2.8581
C2	1.8392		2.2631	1.5359	1.0883	1.0859	2.7773	3.2008	2.2411	2.1609
C3	1.8392	2.2631		1.5359	2.7773	3.2008	1.0883	1.0859	2.2411	2.1609
C4	2.4109	1.5359	1.5359		2.2092	2.2621	2.2092	2.2621	1.0894	1.0877
H5	2.4298	1.0883	2.7773	2.2092		1.7813	2.8850	3.8380	2.5162	3.0663
H6	2.4780	1.0859	3.2008	2.2621	1.7813		3.8380	4.0061	2.9212	2.4604
H7	2.4298	2.7773	1.0883	2.2092	2.8850	3.8380		1.7813	2.5162	3.0663
H8	2.4780	3.2008	1.0859	2.2621	3.8380	4.0061	1.7813		2.9212	2.4604
H9	3.3825	2.2411	2.2411	1.0894	2.5162	2.9212	2.5162	2.9212		1.7760
H10	2.8581	2.1609	2.1609	1.0877	3.0663	2.4604	3.0663	2.4604	1.7760

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	90.719	S1	C2	H5	109.513
S1	C2	H6	113.280	S1	C3	C4	90.719
S1	C3	H7	109.513	S1	C3	H8	113.280
C2	S1	C3	75.937	C2	C4	C3	94.908
C2	C4	H9	116.188	C2	C4	H10	109.717
C3	C4	H9	116.188	C3	C4	H10	109.717
C4	C2	H5	113.578	C4	C2	H6	118.248
C4	C3	H7	113.578	C4	C3	H8	118.248
H5	C2	H6	110.025	H7	C3	H8	110.025
H9	C4	H10	109.328

All results from a given calculation for C₃H₆S (Thietane)

using model chemistry: MP2/cc-pV(T+d)Z

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/cc-pV(T+d)Z

States and conformations

All results from a given calculation for C₃H₆S (Thietane)