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	hartrees
Energy at 0K	-628.241384
Energy at 298.15K	-628.248840
HF Energy	-627.373374
Nuclear repulsion energy	292.770750

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3811	3622	47.99
2	A	3220	3060	8.15
3	A	3179	3021	11.49
4	A	3130	2975	25.97
5	A	3102	2948	18.74
6	A	3049	2898	45.80
7	A	1680	1597	136.79
8	A	1528	1452	0.43
9	A	1507	1432	5.79
10	A	1414	1343	11.98
11	A	1363	1295	15.13
12	A	1334	1267	10.56
13	A	1284	1220	23.25
14	A	1211	1151	4.74
15	A	1185	1126	3.09
16	A	1165	1107	209.29
17	A	1061	1008	14.87
18	A	1030	978	16.46
19	A	955	907	13.73
20	A	896	852	2.85
21	A	720	685	2.46
22	A	703	668	46.25
23	A	700	665	24.24
24	A	630	599	6.32
25	A	523	497	7.87
26	A	478	454	3.82
27	A	370	352	57.90
28	A	365	347	64.37
29	A	273	260	6.32
30	A	189	179	3.27

Atom	x (Å)	y (Å)	z (Å)
S1	0.052	-1.264	-0.127
C2	-0.845	0.254	0.023
C3	-0.098	1.373	0.017
C4	1.366	1.100	-0.186
C5	1.578	-0.343	0.296
O6	-2.189	0.100	0.090
H7	-0.515	2.376	0.065
H8	2.001	1.782	0.387
H9	1.707	-0.375	1.380
H10	1.643	1.198	-1.245
H11	2.425	-0.829	-0.190
H12	-2.594	0.972	0.024

	S1	C2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12
S1		1.7693	2.6452	2.7044	1.8313	2.6320	3.6886	3.6527	2.4082	3.1370	2.4131	3.4676
C2	1.7693		1.3456	2.3759	2.5100	1.3541	2.1481	3.2511	2.9577	2.9477	3.4510	1.8907
C3	2.6452	1.3456		1.5028	2.4152	2.4488	1.0869	2.1707	2.8588	2.1572	3.3553	2.5274
C4	2.7044	2.3759	1.5028		1.5360	3.7023	2.2864	1.0947	2.1778	1.0988	2.2004	3.9668
C5	1.8313	2.5100	2.4152	1.5360		3.7980	3.4389	2.1695	1.0921	2.1801	1.0907	4.3825
O6	2.6320	1.3541	2.4488	3.7023	3.7980		2.8254	4.5249	4.1312	4.2033	4.7144	0.9642
H7	3.6886	2.1481	1.0869	2.2864	3.4389	2.8254		2.6049	3.7725	2.7855	4.3564	2.5086
H8	3.6527	3.2511	2.1707	1.0947	2.1695	4.5249	2.6049		2.3932	1.7694	2.7078	4.6798
H9	2.4082	2.9577	2.8588	2.1778	1.0921	4.1312	3.7725	2.3932		3.0604	1.7850	4.7063
H10	3.1370	2.9477	2.1572	1.0988	2.1801	4.2033	2.7855	1.7694	3.0604		2.4150	4.4284
H11	2.4131	3.4510	3.3553	2.2004	1.0907	4.7144	4.3564	2.7078	1.7850	2.4150		5.3364
H12	3.4676	1.8907	2.5274	3.9668	4.3825	0.9642	2.5086	4.6798	4.7063	4.4284	5.3364

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	115.580	S1	C2	O6	114.193
S1	C5	C4	106.535	S1	C5	H9	108.254
S1	C5	H11	108.683	C2	S1	C5	88.377
C2	C3	C4	112.935	C2	C3	H7	123.680
C2	O6	H12	108.098	C3	C2	O6	130.199
C3	C4	C5	105.267	C3	C4	H8	112.425
C3	C4	H10	111.084	C4	C3	H7	123.181
C4	C5	H9	110.791	C4	C5	H11	112.698
C5	C4	H8	109.977	C5	C4	H10	110.579
H8	C4	H10	107.537	H9	C5	H11	109.718

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

using model chemistry: MP2/6-311G*

States and conformations

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