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	hartrees
Energy at 0K	-628.240055
Energy at 298.15K	-628.247474
HF Energy	-627.372349
Nuclear repulsion energy	295.993968

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3829	3639	32.27
2	A	3256	3094	7.52
3	A	3230	3069	0.43
4	A	3152	2996	6.65
5	A	3094	2941	45.19
6	A	3069	2917	11.28
7	A	1623	1542	6.39
8	A	1495	1421	5.68
9	A	1418	1348	11.25
10	A	1367	1299	13.81
11	A	1348	1281	32.58
12	A	1308	1243	48.19
13	A	1250	1188	30.97
14	A	1207	1147	31.94
15	A	1133	1077	2.75
16	A	1090	1036	65.49
17	A	1034	983	7.47
18	A	958	911	20.01
19	A	906	861	24.59
20	A	885	841	0.22
21	A	835	793	28.28
22	A	797	757	27.96
23	A	680	646	18.98
24	A	651	619	45.33
25	A	579	550	0.55
26	A	430	409	9.36
27	A	380	361	5.13
28	A	360	342	25.70
29	A	272	259	147.99
30	A	151	143	1.92

Atom	x (Å)	y (Å)	z (Å)
S1	-0.483	-1.237	0.226
C2	0.937	-0.064	0.407
C3	0.311	1.322	0.542
C4	-0.975	1.299	-0.234
C5	-1.465	0.069	-0.442
O6	1.759	-0.035	-0.733
H7	1.485	-0.370	1.305
H8	1.028	2.052	0.155
H9	-1.474	2.206	-0.561
H10	-2.388	-0.185	-0.951
H11	0.122	1.552	1.598
H12	2.038	-0.935	-0.930

	S1	C2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12
S1		1.8508	2.6976	2.6240	1.7648	2.7181	2.4061	3.6205	3.6685	2.4743	3.1667	2.7893
C2	1.8508		1.5262	2.4342	2.5512	1.4054	1.0954	2.1331	3.4503	3.5941	2.1666	1.9387
C3	2.6976	1.5262		1.5023	2.3861	2.3581	2.1955	1.0940	2.2773	3.4329	1.0978	3.1999
C4	2.6240	2.4342	1.5023		1.3408	3.0830	3.3473	2.1753	1.0858	2.1709	2.1501	3.8152
C5	1.7648	2.5512	2.3861	1.3408		3.2386	3.4563	3.2416	2.1412	1.0842	2.9801	3.6763
O6	2.7181	1.4054	2.3581	3.0830	3.2386		2.0832	2.3836	3.9379	4.1557	3.2607	0.9626
H7	2.4061	1.0954	2.1955	3.3473	3.4563	2.0832		2.7197	4.3443	4.4861	2.3741	2.3708
H8	3.6205	2.1331	1.0940	2.1753	3.2416	2.3836	2.7197		2.6071	4.2308	1.7755	3.3353
H9	3.6685	3.4503	2.2773	1.0858	2.1412	3.9379	4.3443	2.6071		2.5895	2.7633	4.7265
H10	2.4743	3.5941	3.4329	2.1709	1.0842	4.1557	4.4861	4.2308	2.5895		3.9766	4.4895
H11	3.1667	2.1666	1.0978	2.1501	2.9801	3.2607	2.3741	1.7755	2.7633	3.9766		4.0309
H12	2.7893	1.9387	3.1999	3.8152	3.6763	0.9626	2.3708	3.3353	4.7265	4.4895	4.0309

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	105.632	S1	C2	O6	112.458
S1	C2	H7	106.678	S1	C5	C4	114.637
S1	C5	H10	118.604	C2	S1	C5	89.722
C2	C3	C4	106.981	C2	C3	H8	107.862
C2	C3	H11	110.256	C2	O6	H12	108.454
C3	C2	O6	107.027	C3	C2	H7	112.716
C3	C4	C5	114.002	C3	C4	H9	122.439
C4	C3	H8	112.883	C4	C3	H11	110.606
C4	C5	H10	126.749	C5	C4	H9	123.524
O6	C2	H7	112.220	H8	C3	H11	108.212

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

using model chemistry: MP2/6-311G*

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

using model chemistry: MP2/6-311G*

States and conformations

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