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	hartrees
Energy at 0K	-593.599208
Energy at 298.15K
HF Energy	-592.696670
Nuclear repulsion energy	312.108864

Atom	x (Å)	y (Å)	z (Å)
S1	-0.765	-1.303	0.000
C2	0.814	1.521	0.000
C3	0.145	1.006	1.278
C4	0.145	1.006	-1.278
C5	0.145	-0.519	1.366
C6	0.145	-0.519	-1.366
H7	0.805	2.611	0.000
H8	1.864	1.214	0.000
H9	1.169	-0.895	1.385
H10	1.169	-0.895	-1.385
H11	0.666	1.409	2.148
H12	0.666	1.409	-2.148
H13	-0.885	1.364	1.320
H14	-0.885	1.364	-1.320
H15	-0.347	-0.851	-2.279
H16	-0.347	-0.851	2.279

	S1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
S1		3.2350	2.7909	2.7909	1.8189	1.8189	4.2174	3.6400	2.4133	2.4133	3.7439	3.7439	2.9781	2.9781	2.3603	2.3603
C2	3.2350		1.5314	1.5314	2.5445	2.5445	1.0908	1.0939	2.8076	2.8076	2.1565	2.1565	2.1576	2.1576	3.4879	3.4879
C3	2.7909	1.5314		2.5550	1.5273	3.0519	2.1556	2.1524	2.1622	3.4284	1.0922	3.4888	1.0914	2.8173	4.0418	2.1661
C4	2.7909	1.5314	2.5550		3.0519	1.5273	2.1556	2.1524	3.4284	2.1622	3.4888	1.0922	2.8173	1.0914	2.1661	4.0418
C5	1.8189	2.5445	1.5273	3.0519		2.7325	3.4788	2.7979	1.0912	2.9600	2.1448	4.0425	2.1468	3.4385	3.6929	1.0883
C6	1.8189	2.5445	3.0519	1.5273	2.7325		3.4788	2.7979	2.9600	1.0912	4.0425	2.1448	3.4385	2.1468	1.0883	3.6929
H7	4.2174	1.0908	2.1556	2.1556	3.4788	3.4788		1.7530	3.7881	3.7881	2.4660	2.4660	2.4813	2.4813	4.3022	4.3022
H8	3.6400	1.0939	2.1524	2.1524	2.7979	2.7979	1.7530		2.6181	2.6181	2.4677	2.4677	3.0538	3.0538	3.7878	3.7878
H9	2.4133	2.8076	2.1622	3.4284	1.0912	2.9600	3.7881	2.6181		2.7706	2.4789	4.2486	3.0543	4.0797	3.9652	1.7597
H10	2.4133	2.8076	3.4284	2.1622	2.9600	1.0912	3.7881	2.6181	2.7706		4.2486	2.4789	4.0797	3.0543	1.7597	3.9652
H11	3.7439	2.1565	1.0922	3.4888	2.1448	4.0425	2.4660	2.4677	2.4789	4.2486		4.2969	1.7592	3.7999	5.0728	2.4800
H12	3.7439	2.1565	3.4888	1.0922	4.0425	2.1448	2.4660	2.4677	4.2486	2.4789	4.2969		3.7999	1.7592	2.4800	5.0728
H13	2.9781	2.1576	1.0914	2.8173	2.1468	3.4385	2.4813	3.0538	3.0543	4.0797	1.7592	3.7999		2.6402	4.2601	2.4731
H14	2.9781	2.1576	2.8173	1.0914	3.4385	2.1468	2.4813	3.0538	4.0797	3.0543	3.7999	1.7592	2.6402		2.4731	4.2601
H15	2.3603	3.4879	4.0418	2.1661	3.6929	1.0883	4.3022	3.7878	3.9652	1.7597	5.0728	2.4800	4.2601	2.4731		4.5573
H16	2.3603	3.4879	2.1661	4.0418	1.0883	3.6929	4.3022	3.7878	1.7597	3.9652	2.4800	5.0728	2.4731	4.2601	4.5573

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C5	C3	112.739	S1	C5	H9	109.500
S1	C5	H16	105.806	S1	C6	C4	112.739
S1	C6	H10	109.500	S1	C6	H15	105.806
C2	C3	C5	112.587	C2	C3	H11	109.421
C2	C3	H13	109.557	C2	C4	C6	112.587
C2	C4	H12	109.421	C2	C4	H14	109.557
C3	C2	C4	113.066	C3	C2	H7	109.429
C3	C2	H8	108.998	C3	C5	H9	110.211
C3	C5	H16	110.699	C4	C2	H7	109.429
C4	C2	H8	108.998	C4	C6	H10	110.211
C4	C6	H15	110.699	C5	S1	C6	97.376
C5	C3	H11	108.791	C5	C3	H13	108.993
C6	C4	H12	108.791	C6	C4	H14	108.993
H7	C2	H8	106.720	H9	C5	H16	107.681
H10	C6	H15	107.681	H11	C3	H13	107.351
H12	C4	H14	107.351

All results from a given calculation for C₅H₁₀S (2H-Thiopyran, tetrahydro-)

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 C5H10S (2H-Thiopyran, tetrahydro-)

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

States and conformations

All results from a given calculation for C₅H₁₀S (2H-Thiopyran, tetrahydro-)