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	hartrees
Energy at 0K	-627.132042
Energy at 298.15K	-627.139192
Nuclear repulsion energy	293.048020

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3743	3673	47.94
2	A	3170	3111	3.57
3	A	3149	3090	0.22
4	A	3036	2979	10.42
5	A	2943	2888	34.42
6	A	2932	2878	11.95
7	A	1637	1607	14.40
8	A	1414	1388	6.84
9	A	1392	1366	4.64
10	A	1307	1283	8.69
11	A	1260	1237	39.74
12	A	1237	1214	12.60
13	A	1217	1194	54.64
14	A	1155	1134	160.41
15	A	1105	1084	28.44
16	A	1082	1062	8.26
17	A	1016	997	5.01
18	A	972	954	14.36
19	A	926	909	10.95
20	A	880	864	1.47
21	A	801	786	31.38
22	A	690	677	8.32
23	A	643	631	41.64
24	A	622	610	39.97
25	A	475	466	6.13
26	A	452	443	3.61
27	A	397	389	2.58
28	A	364	357	113.13
29	A	313	307	19.21
30	A	61	59	1.50

Atom	x (Å)	y (Å)	z (Å)
S1	-0.280	-1.277	-0.052
C2	0.861	0.159	0.375
C3	0.123	1.397	-0.086
C4	-1.336	1.119	0.006
C5	-1.644	-0.184	-0.014
O6	2.095	0.099	-0.234
H7	0.933	0.131	1.483
H8	0.423	1.575	-1.142
H9	-2.090	1.910	0.004
H10	-2.653	-0.607	-0.021
H11	0.454	2.276	0.494
H12	2.634	-0.583	0.206

	S1	C2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12
S1		1.8836	2.7043	2.6186	1.7481	2.7513	2.4109	3.1327	3.6655	2.4654	3.6687	3.0068
C2	1.8836		1.5132	2.4255	2.5584	1.3774	1.1103	2.1207	3.4515	3.6180	2.1588	1.9294
C3	2.7043	1.5132		1.4878	2.3723	2.3654	2.1722	1.1120	2.2736	3.4240	1.1037	3.2110
C4	2.6186	2.4255	1.4878		1.3392	3.5871	2.8812	2.1492	1.0933	2.1710	2.1861	4.3237
C5	1.7481	2.5584	2.3723	1.3392		3.7564	2.9968	2.9393	2.1413	1.0935	3.2728	4.3022
O6	2.7513	1.3774	2.3654	3.5871	3.7564		2.0734	2.4077	4.5664	4.8047	2.8214	0.9743
H7	2.4109	1.1103	2.1722	2.8812	2.9968	2.0734		3.0384	3.8061	3.9574	2.4094	2.2442
H8	3.1327	2.1207	1.1120	2.1492	2.9393	2.4077	3.0384		2.7827	3.9341	1.7799	3.3704
H9	3.6655	3.4515	2.2736	1.0933	2.1413	4.5664	3.8061	2.7827		2.5793	2.6163	5.3454
H10	2.4654	3.6180	3.4240	2.1710	1.0935	4.8047	3.9574	3.9341	2.5793		4.2691	5.2915
H11	3.6687	2.1588	1.1037	2.1861	3.2728	2.8214	2.4094	1.7799	2.6163	4.2691		3.6068
H12	3.0068	1.9294	3.2110	4.3237	4.3022	0.9743	2.2442	3.3704	5.3454	5.2915	3.6068

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	105.004	S1	C2	O6	114.170
S1	C2	H7	104.279	S1	C5	C4	115.395
S1	C5	H10	118.538	C2	S1	C5	89.495
C2	C3	C4	107.847	C2	C3	H8	106.771
C2	C3	H11	110.184	C2	O6	H12	109.055
C3	C2	O6	109.740	C3	C2	H7	110.845
C3	C4	C5	114.002	C3	C4	H9	122.764
C4	C3	H8	110.691	C4	C3	H11	114.221
C4	C5	H10	126.062	C5	C4	H9	123.041
O6	C2	H7	112.470	H8	C3	H11	106.891

All results from a given calculation for C₄H₆OS (2,3-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	0.109
2	C	-0.076
3	C	-0.300
4	C	-0.071
5	C	-0.289
6	O	-0.475
7	H	0.158
8	H	0.173
9	H	0.124
10	H	0.153
11	H	0.154
12	H	0.341

	x	y	z	Total
	0.517	0.755	1.328	1.613
CHELPG
AIM
ESP

	x	y	z
x	10.069	-0.079	0.172
y	-0.079	10.737	0.040
z	0.172	0.040	5.808

<r²>	0.000
(<r²>)^1/2	0.000

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

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

States and conformations

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