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	hartrees
Energy at 0K	-628.500557
Energy at 298.15K	-628.507787
HF Energy	-627.438649
Nuclear repulsion energy	289.038455

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3831	3645	58.13
2	A	3218	3062	9.69
3	A	3143	2991	2.73
4	A	3129	2977	6.16
5	A	3092	2942	26.36
6	A	3084	2934	29.62
7	A	1728	1644	82.28
8	A	1507	1434	1.44
9	A	1497	1424	4.42
10	A	1429	1360	7.04
11	A	1286	1223	16.75
12	A	1275	1213	50.23
13	A	1228	1169	1.34
14	A	1166	1109	172.74
15	A	1157	1101	0.00
16	A	1138	1082	6.45
17	A	1035	985	13.44
18	A	978	930	0.08
19	A	906	862	0.02
20	A	901	857	0.96
21	A	800	761	9.78
22	A	779	741	42.54
23	A	741	705	1.10
24	A	612	582	0.80
25	A	484	461	0.18
26	A	479	456	0.38
27	A	393	374	93.55
28	A	382	363	12.30
29	A	232	221	4.21
30	A	61	58	3.05

Atom	x (Å)	y (Å)	z (Å)
S1	1.537	-0.518	0.000
C2	-0.157	-1.175	0.000
C3	-1.045	0.023	-0.000
C4	-0.470	1.230	-0.000
C5	1.022	1.240	0.000
O6	-2.374	-0.278	-0.000
H7	-0.335	-1.786	-0.884
H8	-1.031	2.155	-0.000
H9	1.432	1.730	0.883
H10	-0.335	-1.785	0.885
H11	1.432	1.730	-0.883
H12	-2.870	0.548	-0.001

	S1	C2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12
S1		1.8173	2.6384	2.6612	1.8318	3.9187	2.4280	3.7063	2.4174	2.4280	2.4173	4.5346
C2	1.8173		1.4919	2.4253	2.6880	2.3920	1.0893	3.4430	3.4272	1.0893	3.4274	3.2146
C3	2.6384	1.4919		1.3365	2.3991	1.3627	2.1354	2.1317	3.1352	2.1353	3.1353	1.8992
C4	2.6612	2.4253	1.3365		1.4923	2.4288	3.1455	1.0819	2.1558	3.1454	2.1558	2.4953
C5	1.8318	2.6880	2.3991	1.4923		3.7203	3.4325	2.2475	1.0898	3.4323	1.0898	3.9537
O6	3.9187	2.3920	1.3627	2.4288	3.7203		2.6860	2.7792	4.3930	2.6861	4.3931	0.9637
H7	2.4280	1.0893	2.1354	3.1455	3.4325	2.6860		4.0984	4.3137	1.7689	3.9352	3.5578
H8	3.7063	3.4430	2.1317	1.0819	2.2475	2.7792	4.0984		2.6505	4.0982	2.6505	2.4426
H9	2.4174	3.4272	3.1352	2.1558	1.0898	4.3930	4.3137	2.6505		3.9347	1.7662	4.5484
H10	2.4280	1.0893	2.1353	3.1454	3.4323	2.6861	1.7689	4.0982	3.9347		4.3137	3.5580
H11	2.4173	3.4274	3.1353	2.1558	1.0898	4.3931	3.9352	2.6505	1.7662	4.3137		4.5482
H12	4.5346	3.2146	1.8992	2.4953	3.9537	0.9637	3.5578	2.4426	4.5484	3.5580	4.5482

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	105.324	S1	C2	H7	110.799
S1	C2	H10	110.802	S1	C5	C4	105.921
S1	C5	H9	109.012	S1	C5	H11	109.008
C2	S1	C5	94.892	C2	C3	C4	117.965
C2	C3	O6	113.772	C3	C2	H7	110.671
C3	C2	H10	110.669	C3	C4	C5	115.898
C3	C4	H8	123.290	C3	O6	H12	108.222
C4	C3	O6	128.262	C4	C5	H9	112.277
C4	C5	H11	112.279	C5	C4	H8	120.812
H7	C2	H10	108.570	H9	C5	H11	108.252

All results from a given calculation for C₄H₆OS (2,5-dihydrothiophene-3-ol)

using model chemistry: MP2/Def2TZVPP

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 (2,5-dihydrothiophene-3-ol)

using model chemistry: MP2/Def2TZVPP

States and conformations

All results from a given calculation for C₄H₆OS (2,5-dihydrothiophene-3-ol)