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	hartrees
Energy at 0K	-629.551614
Energy at 298.15K	-629.558924
HF Energy	-629.551614
Nuclear repulsion energy	291.674608

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3792	3668	56.49
2	A	3177	3074	9.04
3	A	3122	3021	10.21
4	A	3063	2964	40.77
5	A	3045	2946	10.84
6	A	2981	2885	54.80
7	A	1672	1618	151.27
8	A	1499	1450	0.30
9	A	1480	1432	3.52
10	A	1374	1329	10.78
11	A	1336	1292	19.02
12	A	1294	1252	5.43
13	A	1260	1219	22.36
14	A	1188	1149	3.40
15	A	1154	1116	0.85
16	A	1132	1095	204.55
17	A	1036	1002	14.46
18	A	999	967	18.26
19	A	919	890	14.09
20	A	864	836	1.47
21	A	738	714	41.80
22	A	688	665	2.69
23	A	677	655	12.81
24	A	626	605	7.08
25	A	529	512	6.60
26	A	471	455	2.66
27	A	361	349	8.43
28	A	332	321	81.56
29	A	253	245	9.57
30	A	157	152	1.62

Atom	x (Å)	y (Å)	z (Å)
S1	0.067	-1.269	-0.106
C2	-0.856	0.245	0.023
C3	-0.126	1.362	0.028
C4	1.348	1.129	-0.163
C5	1.615	-0.329	0.245
O6	-2.201	0.084	0.072
H7	-0.560	2.351	0.080
H8	1.961	1.802	0.440
H9	1.811	-0.406	1.313
H10	1.635	1.290	-1.209
H11	2.435	-0.787	-0.303
H12	-2.628	0.946	0.002

	S1	C2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12
S1		1.7776	2.6411	2.7195	1.8451	2.6469	3.6785	3.6489	2.4084	3.1974	2.4250	3.4904
C2	1.7776		1.3338	2.3820	2.5466	1.3558	2.1273	3.2450	3.0330	2.9689	3.4643	1.9064
C3	2.6411	1.3338		1.5049	2.4371	2.4370	1.0816	2.1726	2.9209	2.1534	3.3595	2.5363
C4	2.7195	2.3820	1.5049		1.5376	3.7074	2.2793	1.0917	2.1798	1.0965	2.2072	3.9841
C5	1.8451	2.5466	2.4371	1.5376		3.8427	3.4560	2.1675	1.0889	2.1762	1.0867	4.4379
O6	2.6469	1.3558	2.4370	3.7074	3.8427		2.7982	4.5174	4.2282	4.2203	4.7323	0.9648
H7	3.6785	2.1273	1.0816	2.2793	3.4560	2.7982		2.6054	3.8401	2.7582	4.3550	2.5009
H8	3.6489	3.2450	2.1726	1.0917	2.1675	4.5174	2.6054		2.3791	1.7576	2.7344	4.6887
H9	2.4084	3.0330	2.9209	2.1798	1.0889	4.2282	3.8401	2.3791		3.0448	1.7734	4.8224
H10	3.1974	2.9689	2.1534	1.0965	2.1762	4.2203	2.7582	1.7576	3.0448		2.4032	4.4452
H11	2.4250	3.4643	3.3595	2.2072	1.0867	4.7323	4.3550	2.7344	1.7734	2.4032		5.3606
H12	3.4904	1.9064	2.5363	3.9841	4.4379	0.9648	2.5009	4.6887	4.8224	4.4452	5.3606

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	115.433	S1	C2	O6	114.619
S1	C5	C4	106.663	S1	C5	H9	107.526
S1	C5	H11	108.839	C2	S1	C5	89.310
C2	C3	C4	113.954	C2	C3	H7	123.120
C2	O6	H12	109.310	C3	C2	O6	129.929
C3	C4	C5	106.452	C3	C4	H8	112.614
C3	C4	H10	110.762	C4	C3	H7	122.738
C4	C5	H9	111.027	C4	C5	H11	113.383
C5	C4	H8	109.885	C5	C4	H10	110.289
H8	C4	H10	106.872	H9	C5	H11	109.194

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

using model chemistry: B3LYP/aug-cc-pVTZ

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: B3LYP/aug-cc-pVTZ

States and conformations

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