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	hartrees
Energy at 0K	-627.139921
Energy at 298.15K	-627.147189
Nuclear repulsion energy	293.503499

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3715	3646	46.22
2	A	3143	3084	6.64
3	A	3087	3030	5.35
4	A	3022	2966	24.30
5	A	3005	2949	9.11
6	A	2925	2870	45.47
7	A	1695	1663	153.87
8	A	1429	1403	0.57
9	A	1411	1384	8.50
10	A	1356	1331	21.04
11	A	1292	1268	7.62
12	A	1271	1247	50.54
13	A	1237	1214	9.50
14	A	1159	1138	19.29
15	A	1117	1096	11.81
16	A	1104	1083	149.84
17	A	1024	1005	20.31
18	A	971	953	5.33
19	A	937	919	14.03
20	A	850	834	3.02
21	A	696	683	5.38
22	A	685	672	43.20
23	A	682	670	18.10
24	A	614	602	5.67
25	A	523	514	3.41
26	A	462	453	2.87
27	A	364	357	94.19
28	A	355	348	13.14
29	A	258	253	7.49
30	A	177	174	3.47

Atom	x (Å)	y (Å)	z (Å)
S1	0.063	-1.258	-0.123
C2	-0.850	0.245	0.024
C3	-0.106	1.364	0.030
C4	1.345	1.098	-0.190
C5	1.577	-0.326	0.287
O6	-2.180	0.087	0.085
H7	-0.535	2.369	0.091
H8	2.005	1.793	0.359
H9	1.702	-0.355	1.384
H10	1.607	1.191	-1.266
H11	2.442	-0.816	-0.187
H12	-2.594	0.966	-0.008

	S1	C2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12
S1		1.7654	2.6325	2.6830	1.8244	2.6235	3.6827	3.6485	2.4018	3.1129	2.4198	3.4674
C2	1.7654		1.3440	2.3646	2.5079	1.3401	2.1482	3.2652	2.9530	2.9323	3.4652	1.8871
C3	2.6325	1.3440		1.4915	2.3998	2.4361	1.0943	2.1794	2.8380	2.1554	3.3605	2.5197
C4	2.6830	2.3646	1.4915		1.5201	3.6769	2.2867	1.1046	2.1709	1.1116	2.2062	3.9451
C5	1.8244	2.5079	2.3998	1.5201		3.7851	3.4303	2.1630	1.1038	2.1716	1.1006	4.3770
O6	2.6235	1.3401	2.4361	3.6769	3.7851		2.8131	4.5276	4.1164	4.1695	4.7164	0.9767
H7	3.6827	2.1482	1.0943	2.2867	3.4303	2.8131		2.6187	3.7538	2.7966	4.3686	2.4932
H8	3.6485	3.2652	2.1794	1.1046	2.1630	4.5276	2.6187		2.3985	1.7780	2.7009	4.6872
H9	2.4018	2.9530	2.8380	2.1709	1.1038	4.1164	3.7538	2.3985		3.0689	1.7962	4.7045
H10	3.1129	2.9323	2.1554	1.1116	2.1716	4.1695	2.7966	1.7780	3.0689		2.4269	4.3912
H11	2.4198	3.4652	3.3605	2.2062	1.1006	4.7164	4.3686	2.7009	1.7962	2.4269		5.3446
H12	3.4674	1.8871	2.5197	3.9451	4.3770	0.9767	2.4932	4.6872	4.7045	4.3912	5.3446

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	115.022	S1	C2	O6	114.609
S1	C5	C4	106.329	S1	C5	H9	107.660
S1	C5	H11	109.118	C2	S1	C5	88.616
C2	C3	C4	112.911	C2	C3	H7	123.216
C2	O6	H12	108.056	C3	C2	O6	130.355
C3	C4	C5	105.659	C3	C4	H8	113.337
C3	C4	H10	110.950	C4	C3	H7	123.614
C4	C5	H9	110.665	C4	C5	H11	113.711
C5	C4	H8	109.990	C5	C4	H10	110.244
H8	C4	H10	106.697	H9	C5	H11	109.148

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

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

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	0.145
2	C	0.092
3	C	-0.120
4	C	-0.297
5	C	-0.425
6	O	-0.484
7	H	0.103
8	H	0.142
9	H	0.182
10	H	0.149
11	H	0.168
12	H	0.343

	x	y	z	Total
	0.437	2.422	0.123	2.464
CHELPG
AIM
ESP

	x	y	z
x	10.355	0.292	-0.020
y	0.292	10.346	0.154
z	-0.020	0.154	5.792

<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/6-31G**

States and conformations

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