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	hartrees
Energy at 0K	-628.259653
Energy at 298.15K	-628.267065
HF Energy	-627.326224
Nuclear repulsion energy	292.209907

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3936	3667	55.63
2	A	3293	3068	8.97
3	A	3238	3016	11.23
4	A	3180	2963	33.98
5	A	3162	2946	12.63
6	A	3107	2895	45.39
7	A	1745	1626	128.66
8	A	1554	1447	0.29
9	A	1530	1426	2.75
10	A	1419	1322	8.30
11	A	1386	1291	16.09
12	A	1349	1257	10.74
13	A	1301	1212	28.85
14	A	1226	1143	3.41
15	A	1186	1105	0.27
16	A	1181	1100	204.79
17	A	1076	1002	10.48
18	A	1040	969	16.18
19	A	959	893	12.55
20	A	902	840	1.21
21	A	747	696	50.23
22	A	725	676	2.46
23	A	706	657	10.55
24	A	644	600	5.06
25	A	528	492	6.87
26	A	486	453	3.50
27	A	370	345	9.59
28	A	309	288	91.74
29	A	263	245	20.05
30	A	173	161	2.27

Atom	x (Å)	y (Å)	z (Å)
S1	0.061	-1.268	-0.113
C2	-0.850	0.248	0.018
C3	-0.116	1.369	0.019
C4	1.359	1.120	-0.167
C5	1.595	-0.341	0.261
O6	-2.196	0.092	0.079
H7	-0.538	2.362	0.067
H8	1.969	1.788	0.441
H9	1.787	-0.400	1.330
H10	1.651	1.268	-1.210
H11	2.423	-0.797	-0.273
H12	-2.623	0.952	0.032

	S1	C2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12
S1		1.7735	2.6465	2.7190	1.8315	2.6423	3.6839	3.6449	2.4111	3.1881	2.4137	3.4863
C2	1.7735		1.3402	2.3820	2.5267	1.3565	2.1378	3.2398	3.0153	2.9667	3.4478	1.9078
C3	2.6465	1.3402		1.5068	2.4309	2.4416	1.0803	2.1679	2.9098	2.1538	3.3498	2.5416
C4	2.7190	2.3820	1.5068		1.5403	3.7087	2.2793	1.0892	2.1752	1.0931	2.1955	3.9902
C5	1.8315	2.5267	2.4309	1.5403		3.8204	3.4489	2.1682	1.0876	2.1799	1.0852	4.4178
O6	2.6423	1.3565	2.4416	3.7087	3.8204		2.8109	4.5115	4.2036	4.2239	4.7168	0.9612
H7	3.6839	2.1378	1.0803	2.2793	3.4489	2.8109		2.5994	3.8248	2.7599	4.3433	2.5169
H8	3.6449	3.2398	2.1679	1.0892	2.1682	4.5115	2.5994		2.3678	1.7592	2.7196	4.6852
H9	2.4111	3.0153	2.9098	2.1752	1.0876	4.2036	3.8248	2.3678		3.0409	1.7694	4.7915
H10	3.1881	2.9667	2.1538	1.0931	2.1799	4.2239	2.7599	1.7592	3.0409		2.3955	4.4614
H11	2.4137	3.4478	3.3498	2.1955	1.0852	4.7168	4.3433	2.7196	1.7694	2.3955		5.3490
H12	3.4863	1.9078	2.5416	3.9902	4.4178	0.9612	2.5169	4.6852	4.7915	4.4614	5.3490

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	115.713	S1	C2	O6	114.518
S1	C5	C4	107.174	S1	C5	H9	108.681
S1	C5	H11	108.993	C2	S1	C5	88.984
C2	C3	C4	113.450	C2	C3	H7	123.703
C2	O6	H12	109.623	C3	C2	O6	129.757
C3	C4	C5	105.829	C3	C4	H8	112.251
C3	C4	H10	110.868	C4	C3	H7	122.676
C4	C5	H9	110.551	C4	C5	H11	112.320
C5	C4	H8	109.897	C5	C4	H10	110.596
H8	C4	H10	107.434	H9	C5	H11	109.035

All results from a given calculation for C₄H₆OS (4,5-dihydrothiophene-2-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-2-ol)

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

States and conformations

All results from a given calculation for C₄H₆OS (4,5-dihydrothiophene-2-ol)