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	hartrees
Energy at 0K	-619.764399
Energy at 298.15K	-619.771470
Nuclear repulsion energy	290.193196

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3653	3271	17.80
2	A	3470	3108	9.31
3	A	3441	3082	18.36
4	A	3390	3036	0.65
5	A	3292	2948	0.27
6	A	3233	2895	11.54
7	A	1774	1588	15.34
8	A	1594	1428	2.70
9	A	1529	1370	4.83
10	A	1431	1281	2.74
11	A	1379	1235	9.05
12	A	1344	1203	85.69
13	A	1298	1163	4.02
14	A	1240	1110	3.45
15	A	1172	1050	2.24
16	A	1144	1024	52.52
17	A	1086	973	5.43
18	A	1004	899	6.95
19	A	964	863	0.90
20	A	940	842	16.47
21	A	901	807	24.12
22	A	816	731	6.40
23	A	721	646	10.90
24	A	690	618	30.74
25	A	575	515	1.02
26	A	447	400	42.73
27	A	407	365	33.88
28	A	365	327	19.25
29	A	336	301	12.51
30	A	91	82	0.24

Atom	x (Å)	y (Å)	z (Å)
S1	-0.393	-1.284	0.152
C2	0.925	0.026	0.413
C3	0.212	1.413	0.364
C4	-1.184	1.212	-0.187
C5	-1.556	-0.071	-0.324
O6	1.930	0.057	-0.619
H7	1.374	-0.171	1.417
H8	0.822	2.072	-0.285
H9	-1.818	2.070	-0.439
H10	-2.535	-0.402	-0.693
H11	0.188	1.872	1.371
H12	2.437	-0.827	-0.459

	S1	C2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12
S1		1.8767	2.7725	2.6407	1.7470	2.7908	2.4417	3.5963	3.6921	2.4667	3.4325	2.9312
C2	1.8767		1.5610	2.4935	2.5908	1.4408	1.1174	2.1648	3.5256	3.6584	2.2062	1.9425
C3	2.7725	1.5610		1.5139	2.4089	2.3997	2.2297	1.1078	2.2791	3.4579	1.1071	3.2630
C4	2.6407	2.4935	1.5139		1.3433	3.3496	3.3214	2.1848	1.0960	2.1648	2.1784	4.1649
C5	1.7470	2.5908	2.4089	1.3433		3.5011	3.4104	3.2019	2.1604	1.0972	3.1133	4.0667
O6	2.7908	1.4408	2.3997	3.3496	3.5011		2.1233	2.3245	4.2582	4.4893	3.2075	1.0314
H7	2.4417	1.1174	2.2297	3.3214	3.4104	2.1233		2.8698	4.3193	4.4489	2.3623	2.2540
H8	3.5963	2.1648	1.1078	2.1848	3.2019	2.3245	2.8698		2.6440	4.1901	1.7843	3.3236
H9	3.6921	3.5256	2.2791	1.0960	2.1604	4.2582	4.3193	2.6440		2.5864	2.7091	5.1477
H10	2.4667	3.6584	3.4579	2.1648	1.0972	4.4893	4.4489	4.1901	2.5864		4.1046	4.9962
H11	3.4325	2.2062	1.1071	2.1784	3.1133	3.2075	2.3623	1.7843	2.7091	4.1046		3.9608
H12	2.9312	1.9425	3.2630	4.1649	4.0667	1.0314	2.2540	3.3236	5.1477	4.9962	3.9608

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	107.153	S1	C2	O6	113.894
S1	C2	H7	106.506	S1	C5	C4	116.804
S1	C5	H10	118.491	C2	S1	C5	91.206
C2	C3	C4	108.363	C2	C3	H8	107.203
C2	C3	H11	110.408	C2	O6	H12	102.310
C3	C2	O6	106.078	C3	C2	H7	111.641
C3	C4	C5	114.805	C3	C4	H9	120.839
C4	C3	H8	111.962	C4	C3	H11	111.486
C4	C5	H10	124.696	C5	C4	H9	124.355
O6	C2	H7	111.570	H8	C3	H11	107.340

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

using model chemistry: LSDA/STO-3G

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	0.150
2	C	-0.073
3	C	-0.186
4	C	-0.130
5	C	-0.213
6	O	-0.224
7	H	0.087
8	H	0.110
9	H	0.092
10	H	0.101
11	H	0.100
12	H	0.187

	x	y	z	Total
	0.817	-0.450	0.866	1.273
CHELPG
AIM
ESP

	x	y	z
x	5.946	-0.286	0.535
y	-0.286	5.993	-0.052
z	0.535	-0.052	2.575

<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/STO-3G

States and conformations

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