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	hartrees
Energy at 0K	-629.465390
Energy at 298.15K	-629.472608
HF Energy	-629.465390
Nuclear repulsion energy	287.756273

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3776	3644	33.34
2	A	3168	3057	18.97
3	A	3082	2974	8.26
4	A	3059	2952	14.57
5	A	3042	2936	35.14
6	A	3026	2920	48.41
7	A	1734	1673	92.70
8	A	1503	1450	4.45
9	A	1496	1444	4.16
10	A	1421	1371	2.32
11	A	1274	1229	7.29
12	A	1267	1223	58.77
13	A	1222	1179	1.25
14	A	1160	1119	175.06
15	A	1138	1099	0.00
16	A	1121	1082	4.64
17	A	1020	985	14.51
18	A	966	932	0.24
19	A	893	861	0.15
20	A	888	857	0.25
21	A	779	752	36.63
22	A	774	747	10.75
23	A	719	694	1.67
24	A	601	580	0.30
25	A	494	477	1.61
26	A	470	453	0.35
27	A	411	397	92.34
28	A	373	360	11.10
29	A	230	222	3.75
30	A	77	75	3.23

Atom	x (Å)	y (Å)	z (Å)
S1	1.545	-0.519	0.000
C2	-0.161	-1.184	0.000
C3	-1.051	0.024	-0.000
C4	-0.475	1.230	-0.000
C5	1.022	1.252	0.000
O6	-2.379	-0.277	-0.000
H7	-0.332	-1.803	-0.886
H8	-1.033	2.162	-0.000
H9	1.439	1.744	0.886
H10	-0.332	-1.803	0.887
H11	1.439	1.744	-0.886
H12	-2.879	0.550	-0.001

	S1	C2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12
S1		1.8312	2.6530	2.6720	1.8471	3.9321	2.4410	3.7197	2.4326	2.4411	2.4326	4.5519
C2	1.8312		1.5005	2.4336	2.7079	2.3963	1.0948	3.4572	3.4517	1.0948	3.4519	3.2239
C3	2.6530	1.5005		1.3362	2.4097	1.3616	2.1544	2.1377	3.1534	2.1544	3.1535	1.9019
C4	2.6720	2.4336	1.3362		1.4969	2.4285	3.1627	1.0866	2.1708	3.1625	2.1708	2.4987
C5	1.8471	2.7079	2.4097	1.4969		3.7292	3.4574	2.2473	1.0958	3.4572	1.0958	3.9639
O6	3.9321	2.3963	1.3616	2.4285	3.7292		2.7026	2.7858	4.4100	2.7027	4.4101	0.9665
H7	2.4410	1.0948	2.1544	3.1627	3.4574	2.7026		4.1227	4.3426	1.7730	3.9646	3.5788
H8	3.7197	3.4572	2.1377	1.0866	2.2473	2.7858	4.1227		2.6592	4.1225	2.6592	2.4508
H9	2.4326	3.4517	3.1534	2.1708	1.0958	4.4100	4.3426	2.6592		3.9640	1.7722	4.5672
H10	2.4411	1.0948	2.1544	3.1625	3.4572	2.7027	1.7730	4.1225	3.9640		4.3425	3.5792
H11	2.4326	3.4519	3.1535	2.1708	1.0958	4.4101	3.9646	2.6592	1.7722	4.3425		4.5669
H12	4.5519	3.2239	1.9019	2.4987	3.9639	0.9665	3.5788	2.4508	4.5672	3.5792	4.5669

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	105.123	S1	C2	H7	110.538
S1	C2	H10	110.541	S1	C5	C4	105.599
S1	C5	H9	108.807	S1	C5	H11	108.802
C2	S1	C5	94.811	C2	C3	C4	118.038
C2	C3	O6	113.608	C3	C2	H7	111.258
C3	C2	H10	111.256	C3	C4	C5	116.429
C3	C4	H8	123.518	C3	O6	H12	108.364
C4	C3	O6	128.354	C4	C5	H9	112.789
C4	C5	H11	112.792	C5	C4	H8	120.054
H7	C2	H10	108.137	H9	C5	H11	107.923

All results from a given calculation for C₄H₆OS (2,5-dihydrothiophene-3-ol)

using model chemistry: TPSSh/6-31G(2df,p)

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 (2,5-dihydrothiophene-3-ol)

using model chemistry: TPSSh/6-31G(2df,p)

States and conformations

All results from a given calculation for C₄H₆OS (2,5-dihydrothiophene-3-ol)