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	hartrees
Energy at 0K	-627.228675
Energy at 298.15K	-627.235983
Nuclear repulsion energy	294.217718

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3715	3669	62.74
2	A	3123	3084	6.17
3	A	3067	3029	5.75
4	A	3005	2968	23.37
5	A	2985	2948	12.94
6	A	2905	2869	47.56
7	A	1673	1652	167.41
8	A	1411	1393	2.04
9	A	1393	1376	12.34
10	A	1344	1327	15.57
11	A	1284	1268	9.41
12	A	1258	1243	41.29
13	A	1234	1219	16.52
14	A	1154	1140	19.13
15	A	1116	1102	13.99
16	A	1098	1085	155.88
17	A	1017	1005	22.90
18	A	968	957	7.54
19	A	931	920	16.13
20	A	852	841	3.79
21	A	692	684	7.56
22	A	686	678	48.95
23	A	677	669	15.51
24	A	614	606	6.71
25	A	515	509	9.89
26	A	464	459	2.95
27	A	360	355	51.69
28	A	356	352	48.36
29	A	265	262	8.30
30	A	188	186	3.89

Atom	x (Å)	y (Å)	z (Å)
S1	0.067	-1.254	-0.126
C2	-0.848	0.245	0.028
C3	-0.107	1.361	0.034
C4	1.341	1.092	-0.198
C5	1.573	-0.321	0.297
O6	-2.175	0.084	0.085
H7	-0.534	2.364	0.093
H8	2.006	1.795	0.330
H9	1.674	-0.334	1.394
H10	1.584	1.164	-1.279
H11	2.442	-0.814	-0.159
H12	-2.595	0.956	-0.015

	S1	C2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12
S1		1.7634	2.6251	2.6710	1.8212	2.6186	3.6743	3.6425	2.3957	3.0786	2.4162	3.4613
C2	1.7634		1.3391	2.3581	2.5009	1.3373	2.1429	3.2621	2.9264	2.9101	3.4620	1.8860
C3	2.6251	1.3391		1.4902	2.3912	2.4309	1.0924	2.1775	2.8097	2.1496	3.3559	2.5211
C4	2.6710	2.3581	1.4902		1.5156	3.6682	2.2840	1.1027	2.1639	1.1101	2.2019	3.9421
C5	1.8212	2.5009	2.3912	1.5156		3.7750	3.4191	2.1607	1.1021	2.1653	1.0987	4.3700
O6	2.6186	1.3373	2.4309	3.6682	3.7750		2.8095	4.5243	4.0865	4.1419	4.7095	0.9737
H7	3.6743	2.1429	1.0924	2.2840	3.4191	2.8095		2.6137	3.7214	2.7947	4.3613	2.4983
H8	3.6425	3.2621	2.1775	1.1027	2.1607	4.5243	2.6137		2.4040	1.7792	2.6903	4.6895
H9	2.3957	2.9264	2.8097	2.1639	1.1021	4.0865	3.7214	2.4040		3.0657	1.7984	4.6770
H10	3.0786	2.9101	2.1496	1.1101	2.1653	4.1419	2.7947	1.7792	3.0657		2.4291	4.3706
H11	2.4162	3.4620	3.3559	2.2019	1.0987	4.7095	4.3613	2.6903	1.7984	2.4291		5.3408
H12	3.4613	1.8860	2.5211	3.9421	4.3700	0.9737	2.4983	4.6895	4.6770	4.3706	5.3408

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	114.899	S1	C2	O6	114.543
S1	C5	C4	105.984	S1	C5	H9	107.510
S1	C5	H11	109.166	C2	S1	C5	88.467
C2	C3	C4	112.797	C2	C3	H7	123.277
C2	O6	H12	108.363	C3	C2	O6	130.531
C3	C4	C5	105.404	C3	C4	H8	113.387
C3	C4	H10	110.660	C4	C3	H7	123.613
C4	C5	H9	110.520	C4	C5	H11	113.806
C5	C4	H8	110.231	C5	C4	H10	110.147
H8	C4	H10	107.037	H9	C5	H11	109.607

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

using model chemistry: LSDA/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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Number	Element	Mulliken
1	S	0.169
2	C	-0.021
3	C	-0.182
4	C	-0.303
5	C	-0.495
6	O	-0.304
7	H	0.131
8	H	0.165
9	H	0.205
10	H	0.172
11	H	0.199
12	H	0.266

	x	y	z	Total
	0.430	2.397	0.093	2.437
CHELPG
AIM
ESP

	x	y	z
x	10.903	0.361	0.040
y	0.361	11.226	0.230
z	0.040	0.230	6.217

<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/6-311G**

States and conformations

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