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	hartrees
Energy at 0K	-628.121956
Energy at 298.15K	-628.129163
HF Energy	-627.309940
Nuclear repulsion energy	287.873078

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3738	3525	45.15
2	A	3234	3050	9.71
3	A	3179	2998	4.58
4	A	3162	2982	9.89
5	A	3126	2948	22.49
6	A	3115	2937	30.60
7	A	1764	1664	77.79
8	A	1564	1475	2.69
9	A	1555	1466	3.42
10	A	1463	1379	4.12
11	A	1337	1260	0.63
12	A	1322	1246	47.72
13	A	1262	1190	6.50
14	A	1196	1128	194.04
15	A	1183	1116	0.09
16	A	1164	1098	4.46
17	A	1059	999	12.80
18	A	1018	960	0.29
19	A	952	897	1.15
20	A	914	862	0.75
21	A	811	764	10.32
22	A	753	710	51.06
23	A	751	708	1.28
24	A	618	583	0.81
25	A	490	462	0.45
26	A	472	445	5.95
27	A	411	388	115.34
28	A	383	361	13.41
29	A	228	215	3.54
30	A	38	36	4.26

Atom	x (Å)	y (Å)	z (Å)
S1	1.544	-0.521	-0.000
C2	-0.159	-1.178	0.000
C3	-1.049	0.025	-0.000
C4	-0.471	1.235	-0.000
C5	1.023	1.246	0.000
O6	-2.381	-0.282	-0.000
H7	-0.340	-1.792	-0.887
H8	-1.028	2.170	-0.000
H9	1.433	1.740	0.887
H10	-0.340	-1.791	0.888
H11	1.433	1.740	-0.886
H12	-2.887	0.550	-0.001

	S1	C2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12
S1		1.8262	2.6501	2.6734	1.8421	3.9324	2.4398	3.7226	2.4310	2.4398	2.4309	4.5592
C2	1.8262		1.4963	2.4334	2.6968	2.3953	1.0939	3.4589	3.4403	1.0939	3.4405	3.2293
C3	2.6501	1.4963		1.3408	2.4044	1.3668	2.1428	2.1449	3.1440	2.1428	3.1441	1.9119
C4	2.6734	2.4334	1.3408		1.4941	2.4387	3.1572	1.0879	2.1602	3.1570	2.1602	2.5110
C5	1.8421	2.6968	2.4044	1.4941		3.7305	3.4454	2.2492	1.0946	3.4451	1.0946	3.9712
O6	3.9324	2.3953	1.3668	2.4387	3.7305		2.6893	2.8004	4.4064	2.6894	4.4065	0.9743
H7	2.4398	1.0939	2.1428	3.1572	3.4454	2.6893		4.1179	4.3315	1.7750	3.9519	3.5722
H8	3.7226	3.4589	2.1449	1.0879	2.2492	2.8004	4.1179		2.6507	4.1177	2.6507	2.4658
H9	2.4310	3.4403	3.1440	2.1602	1.0946	4.4064	4.3315	2.6507		3.9512	1.7728	4.5678
H10	2.4398	1.0939	2.1428	3.1570	3.4451	2.6894	1.7750	4.1177	3.9512		4.3314	3.5727
H11	2.4309	3.4405	3.1441	2.1602	1.0946	4.4065	3.9519	2.6507	1.7728	4.3314		4.5676
H12	4.5592	3.2293	1.9119	2.5110	3.9712	0.9743	3.5722	2.4658	4.5678	3.5727	4.5676

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	105.377	S1	C2	H7	110.833
S1	C2	H10	110.836	S1	C5	C4	106.048
S1	C5	H9	109.081	S1	C5	H11	109.076
C2	S1	C5	94.641	C2	C3	C4	118.018
C2	C3	O6	113.485	C3	C2	H7	110.676
C3	C2	H10	110.675	C3	C4	C5	115.917
C3	C4	H8	123.720	C3	O6	H12	108.338
C4	C3	O6	128.497	C4	C5	H9	112.204
C4	C5	H11	112.206	C5	C4	H8	120.363
H7	C2	H10	108.447	H9	C5	H11	108.148

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

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

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