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	hartrees
Energy at 0K	-628.116918
Energy at 298.15K	-628.124168
HF Energy	-627.301757
Nuclear repulsion energy	288.850402

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3763	3549	59.96
2	A	3298	3110	5.29
3	A	3210	3027	6.91
4	A	3139	2960	28.57
5	A	3126	2948	5.34
6	A	3076	2901	29.02
7	A	1734	1635	24.11
8	A	1546	1457	2.06
9	A	1529	1442	3.25
10	A	1408	1328	106.90
11	A	1363	1285	13.06
12	A	1327	1251	64.28
13	A	1274	1201	0.08
14	A	1224	1154	16.89
15	A	1194	1126	61.87
16	A	1176	1109	29.33
17	A	1051	991	2.90
18	A	1031	972	0.97
19	A	946	892	19.54
20	A	854	805	30.84
21	A	841	793	0.07
22	A	778	734	36.13
23	A	718	677	2.34
24	A	552	521	3.24
25	A	511	482	1.76
26	A	444	419	10.66
27	A	379	357	6.23
28	A	268	252	81.34
29	A	243	229	42.40
30	A	179	169	8.58

Atom	x (Å)	y (Å)	z (Å)
S1	-1.558	-0.538	-0.091
C2	0.102	-1.119	0.091
C3	1.028	-0.151	0.021
C4	0.483	1.232	-0.215
C5	-0.974	1.173	0.245
O6	2.379	-0.395	0.007
H7	0.299	-2.179	0.191
H8	1.035	1.995	0.349
H9	-1.616	1.876	-0.287
H10	0.561	1.486	-1.282
H11	-1.047	1.359	1.320
H12	2.840	0.426	0.247

	S1	C2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12
S1		1.7682	2.6177	2.7050	1.8390	3.9414	2.4944	3.6523	2.4234	3.1641	2.4186	4.5158
C2	1.7682		1.3417	2.4015	2.5366	2.3910	1.0828	3.2613	3.4735	2.9805	2.9945	3.1479
C3	2.6177	1.3417		1.5053	2.4107	1.3733	2.1618	2.1708	3.3456	2.1437	2.8753	1.9152
C4	2.7050	2.4015	1.5053		1.5293	2.5090	3.4402	1.0979	2.1962	1.0992	2.1704	2.5344
C5	1.8390	2.5366	2.4107	1.5293		3.7098	3.5860	2.1739	1.0909	2.1883	1.0929	3.8873
O6	3.9414	2.3910	1.3733	2.5090	3.7098		2.7460	2.7639	4.6050	2.9163	4.0665	0.9719
H7	2.4944	1.0828	2.1618	3.4402	3.5860	2.7460		4.2415	4.5101	3.9588	3.9495	3.6391
H8	3.6523	3.2613	2.1708	1.0979	2.1739	2.7639	4.2415		2.7287	1.7726	2.3836	2.3944
H9	2.4234	3.4735	3.3456	2.1962	1.0909	4.6050	4.5101	2.7287		2.4249	1.7820	4.7166
H10	3.1641	2.9805	2.1437	1.0992	2.1883	2.9163	3.9588	1.7726	2.4249		3.0610	2.9422
H11	2.4186	2.9945	2.8753	2.1704	1.0929	4.0665	3.9495	2.3836	1.7820	3.0610		4.1387
H12	4.5158	3.1479	1.9152	2.5344	3.8873	0.9719	3.6391	2.3944	4.7166	2.9422	4.1387

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	113.942	S1	C2	H7	120.141
S1	C5	C4	106.485	S1	C5	H9	108.922
S1	C5	H11	108.469	C2	S1	C5	89.347
C2	C3	C4	114.911	C2	C3	O6	123.444
C3	C2	H7	125.831	C3	C4	C5	105.194
C3	C4	H8	112.059	C3	C4	H10	109.809
C3	O6	H12	108.281	C4	C3	C5	37.751
C4	C5	H9	112.824	C4	C5	H11	110.627
C5	C4	H8	110.596	C5	C4	H10	111.673
H8	C4	H10	107.563	H9	C5	H11	109.378

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

using model chemistry: MP2/6-31G*

States and conformations

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