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	hartrees
Energy at 0K	-628.238513
Energy at 298.15K	-628.245820
HF Energy	-627.371137
Nuclear repulsion energy	289.364214

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3844	3653	57.20
2	A	3263	3101	5.39
3	A	3182	3024	9.42
4	A	3113	2958	31.96
5	A	3098	2944	10.37
6	A	3050	2898	36.95
7	A	1708	1623	26.43
8	A	1516	1441	4.43
9	A	1500	1426	5.06
10	A	1397	1327	150.32
11	A	1354	1287	11.96
12	A	1323	1257	59.72
13	A	1265	1202	0.13
14	A	1214	1154	17.68
15	A	1183	1124	41.50
16	A	1169	1111	40.31
17	A	1036	985	5.38
18	A	1023	972	1.13
19	A	937	890	19.68
20	A	848	806	31.66
21	A	834	792	0.50
22	A	762	724	36.21
23	A	710	675	2.55
24	A	548	521	3.62
25	A	511	485	3.27
26	A	453	430	16.93
27	A	378	359	7.25
28	A	283	269	120.15
29	A	249	236	10.96
30	A	192	183	6.65

Atom	x (Å)	y (Å)	z (Å)
S1	-1.558	-0.536	-0.096
C2	0.101	-1.116	0.099
C3	1.030	-0.150	0.028
C4	0.482	1.230	-0.219
C5	-0.972	1.170	0.253
O6	2.376	-0.394	0.004
H7	0.298	-2.176	0.198
H8	1.038	1.996	0.335
H9	-1.616	1.877	-0.269
H10	0.554	1.471	-1.288
H11	-1.033	1.340	1.330
H12	2.837	0.417	0.234

	S1	C2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12
S1		1.7678	2.6190	2.7003	1.8367	3.9370	2.4942	3.6520	2.4200	3.1478	2.4141	4.5087
C2	1.7678		1.3421	2.3980	2.5297	2.3886	1.0829	3.2593	3.4704	2.9705	2.9722	3.1394
C3	2.6190	1.3421		1.5054	2.4083	1.3679	2.1609	2.1686	3.3466	2.1418	2.8587	1.9052
C4	2.7003	2.3980	1.5054		1.5293	2.5048	3.4365	1.0973	2.1959	1.0989	2.1690	2.5321
C5	1.8367	2.5297	2.4083	1.5293		3.7031	3.5792	2.1752	1.0903	2.1896	1.0923	3.8822
O6	3.9370	2.3886	1.3679	2.5048	3.7031		2.7441	2.7590	4.6008	2.9099	4.0476	0.9614
H7	2.4942	1.0829	2.1609	3.4365	3.5792	2.7441		4.2400	4.5070	3.9470	3.9264	3.6296
H8	3.6520	3.2593	2.1686	1.0973	2.1752	2.7590	4.2400		2.7251	1.7737	2.3897	2.3952
H9	2.4200	3.4704	3.3466	2.1959	1.0903	4.6008	4.5070	2.7251		2.4314	1.7854	4.7130
H10	3.1478	2.9705	2.1418	1.0989	2.1896	2.9099	3.9470	1.7737	2.4314		3.0645	2.9392
H11	2.4141	2.9722	2.8587	2.1690	1.0923	4.0476	3.9264	2.3897	1.7854	3.0645		4.1263
H12	4.5087	3.1394	1.9052	2.5321	3.8822	0.9614	3.6296	2.3952	4.7130	2.9392	4.1263

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	114.037	S1	C2	H7	120.158
S1	C5	C4	106.331	S1	C5	H9	108.853
S1	C5	H11	108.323	C2	S1	C5	89.124
C2	C3	C4	114.611	C2	C3	O6	123.623
C3	C2	H7	125.684	C3	C4	C5	105.040
C3	C4	H8	111.905	C3	C4	H10	109.668
C3	O6	H12	108.501	C4	C3	C5	37.826
C4	C5	H9	112.845	C4	C5	H11	110.548
C5	C4	H8	110.742	C5	C4	H10	111.797
H8	C4	H10	107.732	H9	C5	H11	109.778

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

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

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