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	hartrees
Energy at 0K	-628.497042
Energy at 298.15K	-628.504276
HF Energy	-627.431095
Nuclear repulsion energy	290.128395

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3859	3672	79.92
2	A	3271	3112	4.98
3	A	3181	3026	6.39
4	A	3114	2963	22.55
5	A	3095	2945	10.76
6	A	3048	2900	32.93
7	A	1697	1614	36.53
8	A	1487	1415	4.36
9	A	1472	1400	4.34
10	A	1378	1312	120.54
11	A	1315	1252	14.70
12	A	1291	1228	38.00
13	A	1244	1184	2.06
14	A	1193	1136	14.41
15	A	1164	1108	80.63
16	A	1148	1093	12.97
17	A	1015	966	1.47
18	A	1008	959	2.47
19	A	925	880	21.14
20	A	839	799	25.82
21	A	825	785	4.94
22	A	800	761	26.06
23	A	702	668	1.96
24	A	546	520	3.26
25	A	502	478	3.64
26	A	449	427	10.15
27	A	378	360	5.59
28	A	269	256	56.09
29	A	233	222	40.17
30	A	182	174	6.42

Atom	x (Å)	y (Å)	z (Å)
S1	-1.549	-0.536	-0.091
C2	0.102	-1.116	0.089
C3	1.024	-0.148	0.021
C4	0.477	1.229	-0.219
C5	-0.974	1.165	0.248
O6	2.371	-0.390	0.010
H7	0.305	-2.171	0.183
H8	1.029	1.993	0.333
H9	-1.624	1.869	-0.264
H10	0.545	1.467	-1.285
H11	-1.032	1.329	1.323
H12	2.820	0.428	0.243

	S1	C2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12
S1		1.7600	2.6051	2.6901	1.8275	3.9240	2.4872	3.6363	2.4121	3.1347	2.3965	4.4866
C2	1.7600		1.3390	2.3949	2.5276	2.3831	1.0777	3.2538	3.4663	2.9596	2.9645	3.1293
C3	2.6051	1.3390		1.5007	2.4014	1.3681	2.1532	2.1634	3.3404	2.1311	2.8466	1.8986
C4	2.6901	2.3949	1.5007		1.5253	2.5019	3.4276	1.0923	2.1963	1.0944	2.1595	2.5189
C5	1.8275	2.5276	2.4014	1.5253		3.6959	3.5732	2.1687	1.0864	2.1794	1.0885	3.8645
O6	3.9240	2.3831	1.3681	2.5019	3.6959		2.7328	2.7537	4.5969	2.9083	4.0316	0.9615
H7	2.4872	1.0777	2.1532	3.4276	3.5732	2.7328		4.2290	4.4986	3.9302	3.9158	3.6165
H8	3.6363	3.2538	2.1634	1.0923	2.1687	2.7537	4.2290		2.7217	1.7683	2.3809	2.3803
H9	2.4121	3.4663	3.3404	2.1963	1.0864	4.5969	4.4986	2.7217		2.4306	1.7778	4.6988
H10	3.1347	2.9596	2.1311	1.0944	2.1794	2.9083	3.9302	1.7683	2.4306		3.0508	2.9307
H11	2.3965	2.9645	2.8466	2.1595	1.0885	4.0316	3.9158	2.3809	1.7778	3.0508		4.1003
H12	4.4866	3.1293	1.8986	2.5189	3.8645	0.9615	3.6165	2.3803	4.6988	2.9307	4.1003

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	113.719	S1	C2	H7	120.533
S1	C5	C4	106.358	S1	C5	H9	109.081
S1	C5	H11	107.832	C2	S1	C5	89.568
C2	C3	C4	114.879	C2	C3	O6	123.356
C3	C2	H7	125.647	C3	C4	C5	105.045
C3	C4	H8	112.132	C3	C4	H10	109.418
C3	O6	H12	107.898	C4	C3	C5	37.835
C4	C5	H9	113.414	C4	C5	H11	110.303
C5	C4	H8	110.805	C5	C4	H10	111.535
H8	C4	H10	107.933	H9	C5	H11	109.654

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

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

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