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	hartrees
Energy at 0K	-628.262471
Energy at 298.15K	-628.269655
HF Energy	-627.332470
Nuclear repulsion energy	288.021822

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3939	3670	47.33
2	A	3278	3054	13.15
3	A	3208	2989	3.64
4	A	3194	2975	7.56
5	A	3158	2942	25.34
6	A	3149	2934	35.93
7	A	1801	1678	84.42
8	A	1559	1453	2.58
9	A	1550	1444	4.08
10	A	1463	1363	8.88
11	A	1350	1257	0.54
12	A	1332	1241	45.68
13	A	1264	1178	19.55
14	A	1205	1122	191.58
15	A	1169	1089	0.10
16	A	1152	1073	7.30
17	A	1053	981	11.15
18	A	1011	942	0.09
19	A	947	882	0.00
20	A	917	855	0.61
21	A	811	756	10.94
22	A	774	721	48.24
23	A	752	700	1.11
24	A	622	580	1.01
25	A	493	459	0.54
26	A	460	429	2.09
27	A	386	360	13.82
28	A	340	317	108.00
29	A	231	215	8.20
30	A	45	42	4.60

Atom	x (Å)	y (Å)	z (Å)
S1	-1.549	-0.517	-0.000
C2	0.153	-1.178	0.000
C3	1.052	0.024	0.000
C4	0.479	1.232	-0.000
C5	-1.023	1.245	0.000
O6	2.380	-0.282	-0.000
H7	0.338	-1.786	0.884
H8	1.033	2.161	-0.000
H9	-1.421	1.744	-0.881
H10	0.338	-1.787	-0.883
H11	-1.421	1.743	0.882
H12	2.907	0.521	0.003

	S1	C2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12
S1		1.8259	2.6562	2.6779	1.8397	3.9355	2.4391	3.7200	2.4300	2.4390	2.4301	4.5753
C2	1.8259		1.5011	2.4324	2.6940	2.3999	1.0880	3.4530	3.4344	1.0880	3.4339	3.2358
C3	2.6562	1.5011		1.3368	2.4069	1.3631	2.1376	2.1364	3.1381	2.1377	3.1378	1.9208
C4	2.6779	2.4324	1.3368		1.5013	2.4306	3.1484	1.0815	2.1559	3.1486	2.1559	2.5306
C5	1.8397	2.6940	2.4069	1.5013		3.7296	3.4383	2.2503	1.0882	3.4387	1.0883	3.9960
O6	3.9355	2.3999	1.3631	2.4306	3.7296		2.6858	2.7896	4.3965	2.6856	4.3961	0.9609
H7	2.4391	1.0880	2.1376	3.1484	3.4383	2.6858		4.1042	4.3208	1.7661	3.9432	3.5640
H8	3.7200	3.4530	2.1364	1.0815	2.2503	2.7896	4.1042		2.6409	4.1044	2.6412	2.4902
H9	2.4300	3.4344	3.1381	2.1559	1.0882	4.3965	4.3208	2.6409		3.9445	1.7635	4.5839
H10	2.4390	1.0880	2.1377	3.1486	3.4387	2.6856	1.7661	4.1044	3.9445		4.3207	3.5653
H11	2.4301	3.4339	3.1378	2.1559	1.0883	4.3961	3.9432	2.6412	1.7635	4.3207		4.5826
H12	4.5753	3.2358	1.9208	2.5306	3.9960	0.9609	3.5640	2.4902	4.5839	3.5653	4.5826

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	105.531	S1	C2	H7	111.115
S1	C2	H10	111.107	S1	C5	C4	106.112
S1	C5	H9	109.492	S1	C5	H11	109.499
C2	S1	C5	94.602	C2	C3	C4	117.869
C2	C3	O6	113.747	C3	C2	H7	110.282
C3	C2	H10	110.287	C3	C4	C5	115.886
C3	C4	H8	123.776	C3	O6	H12	110.288
C4	C3	O6	128.385	C4	C5	H9	111.730
C4	C5	H11	111.732	C5	C4	H8	120.338
H7	C2	H10	108.511	H9	C5	H11	108.241

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

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

States and conformations

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