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	hartrees
Energy at 0K	-628.205724
Energy at 298.15K
HF Energy	-627.314692
Nuclear repulsion energy	292.257994

Atom	x (Å)	y (Å)	z (Å)
S1	-0.236	-1.286	-0.038
C2	0.850	0.167	0.386
C3	0.090	1.421	-0.059
C4	-1.379	1.088	-0.015
C5	-1.651	-0.221	-0.037
O6	2.092	0.142	-0.257
H7	0.962	0.161	1.473
H8	0.402	1.660	-1.079
H9	-2.139	1.854	-0.029
H10	-2.632	-0.667	-0.058
H11	0.356	2.266	0.576
H12	2.630	-0.556	0.125

	S1	C2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12
S1		1.8629	2.7267	2.6346	1.7708	2.7403	2.4112	3.1889	3.6718	2.4751	3.6528	2.9617
C2	1.8629		1.5322	2.4441	2.5656	1.3990	1.0928	2.1387	3.4573	3.6080	2.1643	1.9386
C3	2.7267	1.5322		1.5063	2.3931	2.3845	2.1661	1.0931	2.2710	3.4305	1.0894	3.2237
C4	2.6346	2.4441	1.5063		1.3371	3.6057	2.9238	2.1516	1.0798	2.1568	2.1784	4.3343
C5	1.7708	2.5656	2.3931	1.3371		3.7673	3.0418	2.9728	2.1316	1.0781	3.2538	4.2965
O6	2.7403	1.3990	2.3845	3.6057	3.7673		2.0660	2.4163	4.5707	4.7975	2.8666	0.9596
H7	2.4112	1.0928	2.1661	2.9238	3.0418	2.0660		3.0114	3.8391	3.9937	2.3662	2.2610
H8	3.1889	2.1387	1.0931	2.1516	2.9728	2.4163	3.0114		2.7562	3.9573	1.7623	3.3647
H9	3.6718	3.4573	2.2710	1.0798	2.1316	4.5707	3.8391	2.7562		2.5683	2.6008	5.3455
H10	2.4751	3.6080	3.4305	2.1568	1.0781	4.7975	3.9937	3.9573	2.5683		4.2346	5.2662
H11	3.6528	2.1643	1.0894	2.1784	3.2538	2.8666	2.3662	1.7623	2.6008	4.2346		3.6514
H12	2.9617	1.9386	3.2237	4.3343	4.2965	0.9596	2.2610	3.3647	5.3455	5.2662	3.6514

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	106.455	S1	C2	O6	113.535
S1	C2	H7	106.399	S1	C5	C4	115.217
S1	C5	H10	118.603	C2	S1	C5	89.794
C2	C3	C4	107.098	C2	C3	H8	107.937
C2	C3	H11	110.146	C2	O6	H12	109.131
C3	C2	O6	108.791	C3	C2	H7	110.090
C3	C4	C5	114.494	C3	C4	H9	121.975
C4	C3	H8	110.726	C4	C3	H11	113.136
C4	C5	H10	126.180	C5	C4	H9	123.416
O6	C2	H7	111.427	H8	C3	H11	107.694

All results from a given calculation for C₄H₆OS (2,3-dihydrothiophene-2-ol)

using model chemistry: MP3/6-31+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 C4H6OS (2,3-dihydrothiophene-2-ol)

using model chemistry: MP3/6-31+G**

States and conformations

All results from a given calculation for C₄H₆OS (2,3-dihydrothiophene-2-ol)