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	hartrees
Energy at 0K	-627.152884
Energy at 298.15K	-627.160135
Nuclear repulsion energy	293.431934

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3717	3661	58.63
2	A	3139	3092	7.12
3	A	3081	3034	5.83
4	A	3019	2974	21.36
5	A	2995	2950	14.40
6	A	2919	2875	50.21
7	A	1672	1647	172.35
8	A	1420	1399	2.00
9	A	1402	1381	11.04
10	A	1335	1315	23.69
11	A	1285	1266	8.75
12	A	1260	1241	51.61
13	A	1230	1211	9.71
14	A	1154	1137	19.34
15	A	1111	1094	4.38
16	A	1091	1074	156.35
17	A	1020	1005	24.64
18	A	970	955	7.79
19	A	933	919	16.34
20	A	851	838	2.67
21	A	695	684	7.83
22	A	684	674	47.35
23	A	683	672	16.51
24	A	613	604	5.13
25	A	515	507	13.51
26	A	463	456	2.88
27	A	356	351	11.68
28	A	343	338	88.39
29	A	260	256	9.80
30	A	182	179	3.75

Atom	x (Å)	y (Å)	z (Å)
S1	0.061	-1.257	-0.122
C2	-0.847	0.245	0.027
C3	-0.103	1.366	0.035
C4	1.348	1.095	-0.193
C5	1.578	-0.329	0.287
O6	-2.181	0.089	0.083
H7	-0.531	2.372	0.098
H8	2.013	1.791	0.349
H9	1.701	-0.354	1.385
H10	1.600	1.182	-1.273
H11	2.442	-0.821	-0.186
H12	-2.609	0.961	-0.020

	S1	C2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12
S1		1.7614	2.6327	2.6818	1.8246	2.6227	3.6832	3.6497	2.4030	3.1047	2.4208	3.4727
C2	1.7614		1.3460	2.3644	2.5057	1.3435	2.1517	3.2673	2.9491	2.9251	3.4639	1.9025
C3	2.6327	1.3460		1.4933	2.4000	2.4394	1.0948	2.1805	2.8344	2.1551	3.3626	2.5398
C4	2.6818	2.3644	1.4933		1.5201	3.6795	2.2900	1.1048	2.1713	1.1122	2.2064	3.9634
C5	1.8246	2.5057	2.4000	1.5201		3.7871	3.4314	2.1648	1.1048	2.1715	1.1011	4.3920
O6	2.6227	1.3435	2.4394	3.6795	3.7871		2.8168	4.5334	4.1179	4.1624	4.7186	0.9770
H7	3.6832	2.1517	1.0948	2.2900	3.4314	2.8168		2.6209	3.7506	2.7991	4.3715	2.5152
H8	3.6497	3.2673	2.1805	1.1048	2.1648	4.5334	2.6209		2.4024	1.7812	2.7008	4.7106
H9	2.4030	2.9491	2.8344	2.1713	1.1048	4.1179	3.7506	2.4024		3.0712	1.7983	4.7204
H10	3.1047	2.9251	2.1551	1.1122	2.1715	4.1624	2.7991	1.7812	3.0712		2.4293	4.3974
H11	2.4208	3.4639	3.3626	2.2064	1.1011	4.7186	4.3715	2.7008	1.7983	2.4293		5.3586
H12	3.4727	1.9025	2.5398	3.9634	4.3920	0.9770	2.5152	4.7106	4.7204	4.3974	5.3586

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	115.174	S1	C2	O6	114.616
S1	C5	C4	106.252	S1	C5	H9	107.680
S1	C5	H11	109.157	C2	S1	C5	88.635
C2	C3	C4	112.659	C2	C3	H7	123.330
C2	O6	H12	109.124	C3	C2	O6	130.191
C3	C4	C5	105.582	C3	C4	H8	113.280
C3	C4	H10	110.764	C4	C3	H7	123.719
C4	C5	H9	110.629	C4	C5	H11	113.695
C5	C4	H8	110.117	C5	C4	H10	110.211
H8	C4	H10	106.920	H9	C5	H11	109.218

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

using model chemistry: LSDA/6-31+G**

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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Number	Element	Mulliken
1	S	0.241
2	C	-0.092
3	C	-0.059
4	C	-0.403
5	C	-0.594
6	O	-0.443
7	H	0.146
8	H	0.188
9	H	0.234
10	H	0.199
11	H	0.214
12	H	0.369

	x	y	z	Total
	0.707	2.398	0.041	2.501
CHELPG
AIM
ESP

	x	y	z
x	11.498	0.383	-0.055
y	0.383	11.929	0.159
z	-0.055	0.159	7.974

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-31+G**

States and conformations

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