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	hartrees
Energy at 0K	-628.258334
Energy at 298.15K	-628.265651
HF Energy	-627.325023
Nuclear repulsion energy	288.859410

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3946	3677	61.04
2	A	3343	3114	5.23
3	A	3240	3019	9.46
4	A	3169	2953	37.82
5	A	3155	2939	5.73
6	A	3109	2896	38.21
7	A	1771	1650	34.49
8	A	1545	1439	2.04
9	A	1527	1422	3.02
10	A	1424	1326	94.90
11	A	1367	1273	11.10
12	A	1334	1243	59.25
13	A	1276	1189	0.61
14	A	1226	1142	17.66
15	A	1204	1121	86.84
16	A	1175	1094	9.20
17	A	1050	978	3.55
18	A	1028	957	1.02
19	A	947	882	18.89
20	A	854	796	29.58
21	A	841	783	1.42
22	A	809	753	35.11
23	A	717	668	1.90
24	A	556	518	3.31
25	A	518	483	2.16
26	A	448	417	9.33
27	A	386	360	13.23
28	A	264	246	119.77
29	A	250	233	6.69
30	A	178	166	3.21

Atom	x (Å)	y (Å)	z (Å)
S1	-1.560	-0.541	-0.085
C2	0.107	-1.121	0.087
C3	1.029	-0.154	0.021
C4	0.486	1.236	-0.204
C5	-0.984	1.174	0.230
O6	2.378	-0.388	-0.001
H7	0.308	-2.174	0.181
H8	1.030	1.983	0.376
H9	-1.607	1.868	-0.323
H10	0.584	1.501	-1.260
H11	-1.073	1.385	1.293
H12	2.851	0.393	0.294

	S1	C2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12
S1		1.7731	2.6197	2.7121	1.8359	3.9414	2.4945	3.6456	2.4215	3.1857	2.4177	4.5240
C2	1.7731		1.3372	2.4042	2.5443	2.3875	1.0763	3.2508	3.4700	2.9861	3.0208	3.1401
C3	2.6197	1.3372		1.5092	2.4205	1.3690	2.1507	2.1666	3.3407	2.1401	2.8996	1.9213
C4	2.7121	2.4042	1.5092		1.5337	2.5016	3.4359	1.0915	2.1900	1.0935	2.1666	2.5592
C5	1.8359	2.5443	2.4205	1.5337		3.7140	3.5882	2.1755	1.0850	2.1878	1.0878	3.9136
O6	3.9414	2.3875	1.3690	2.5016	3.7140		2.7402	2.7535	4.5911	2.8936	4.0901	0.9596
H7	2.4945	1.0763	2.1507	3.4359	3.5882	2.7402		4.2238	4.5010	3.9572	3.9761	3.6152
H8	3.6456	3.2508	2.1666	1.0915	2.1755	2.7535	4.2238		2.7312	1.7635	2.3710	2.4185
H9	2.4215	3.4700	3.3407	2.1900	1.0850	4.5911	4.5010	2.7312		2.4116	1.7696	4.7361
H10	3.1857	2.9861	2.1401	1.0935	2.1878	2.8936	3.9572	1.7635	2.4116		3.0463	2.9630
H11	2.4177	3.0208	2.8996	2.1666	1.0878	4.0901	3.9761	2.3710	1.7696	3.0463		4.1687
H12	4.5240	3.1401	1.9213	2.5592	3.9136	0.9596	3.6152	2.4185	4.7361	2.9630	4.1687

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	114.029	S1	C2	H7	120.210
S1	C5	C4	106.857	S1	C5	H9	109.288
S1	C5	H11	108.863	C2	S1	C5	89.643
C2	C3	C4	115.133	C2	C3	O6	123.816
C3	C2	H7	125.681	C3	C4	C5	105.394
C3	C4	H8	111.826	C3	C4	H10	109.583
C3	O6	H12	109.949	C4	C3	C5	37.654
C4	C5	H9	112.376	C4	C5	H11	110.318
C5	C4	H8	110.802	C5	C4	H10	111.664
H8	C4	H10	107.617	H9	C5	H11	109.062

All results from a given calculation for C₄H₆OS (4,5-dihydrothiophene-3-ol)

using model chemistry: MP3=FULL/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 (4,5-dihydrothiophene-3-ol)

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

States and conformations

All results from a given calculation for C₄H₆OS (4,5-dihydrothiophene-3-ol)