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	hartrees
Energy at 0K	-628.307760
Energy at 298.15K	-628.315123
HF Energy	-627.403654
Nuclear repulsion energy	292.440007

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3854	3653	55.15
2	A	3270	3099	7.22
3	A	3244	3075	0.28
4	A	3153	2989	14.50
5	A	3081	2920	31.82
6	A	3066	2907	12.51
7	A	1621	1537	12.01
8	A	1497	1419	4.63
9	A	1445	1370	6.27
10	A	1363	1292	3.83
11	A	1337	1267	18.47
12	A	1304	1236	21.21
13	A	1281	1214	61.45
14	A	1178	1117	3.14
15	A	1145	1085	7.77
16	A	1123	1064	156.35
17	A	1040	986	2.85
18	A	1009	956	17.95
19	A	969	919	7.39
20	A	925	877	0.54
21	A	812	770	26.21
22	A	699	662	19.33
23	A	670	635	26.74
24	A	649	616	49.20
25	A	486	461	3.72
26	A	462	438	2.92
27	A	405	384	0.89
28	A	336	318	20.00
29	A	309	293	108.21
30	A	108	102	1.35

Atom	x (Å)	y (Å)	z (Å)
S1	-0.241	-1.286	-0.043
C2	0.847	0.170	0.382
C3	0.092	1.416	-0.070
C4	-1.371	1.091	-0.007
C5	-1.650	-0.216	-0.029
O6	2.097	0.138	-0.248
H7	0.952	0.168	1.471
H8	0.396	1.635	-1.100
H9	-2.132	1.861	-0.023
H10	-2.636	-0.659	-0.048
H11	0.364	2.269	0.554
H12	2.626	-0.560	0.153

	S1	C2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12
S1		1.8669	2.7234	2.6332	1.7697	2.7446	2.4151	3.1717	3.6720	2.4756	3.6551	2.9634
C2	1.8669		1.5263	2.4339	2.5602	1.3995	1.0941	2.1326	3.4498	3.6060	2.1605	1.9357
C3	2.7234	1.5263		1.5005	2.3877	2.3844	2.1622	1.0952	2.2685	3.4276	1.0907	3.2209
C4	2.6332	2.4339	1.5005		1.3370	3.6049	2.9045	2.1481	1.0822	2.1597	2.1707	4.3276
C5	1.7697	2.5602	2.3877	1.3370		3.7696	3.0283	2.9598	2.1323	1.0808	3.2511	4.2931
O6	2.7446	1.3995	2.3844	3.6049	3.7696		2.0653	2.4210	4.5719	4.8029	2.8609	0.9627
H7	2.4151	1.0941	2.1622	2.9045	3.0283	2.0653		3.0119	3.8225	3.9834	2.3662	2.2512
H8	3.1717	2.1326	1.0952	2.1481	2.9598	2.4210	3.0119		2.7568	3.9448	1.7705	3.3703
H9	3.6720	3.4498	2.2685	1.0822	2.1323	4.5719	3.8225	2.7568		2.5702	2.5941	5.3410
H10	2.4756	3.6060	3.4276	2.1597	1.0808	4.8029	3.9834	3.9448	2.5702		4.2347	5.2659
H11	3.6551	2.1605	1.0907	2.1707	3.2511	2.8609	2.3662	1.7705	2.5941	4.2347		3.6434
H12	2.9634	1.9357	3.2209	4.3276	4.2931	0.9627	2.2512	3.3703	5.3410	5.2659	3.6434

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	106.325	S1	C2	O6	113.563
S1	C2	H7	106.358	S1	C5	C4	115.197
S1	C5	H10	118.558	C2	S1	C5	89.458
C2	C3	C4	107.045	C2	C3	H8	107.743
C2	C3	H11	110.174	C2	O6	H12	108.645
C3	C2	O6	109.086	C3	C2	H7	110.109
C3	C4	C5	114.476	C3	C4	H9	122.055
C4	C3	H8	110.733	C4	C3	H11	112.846
C4	C5	H10	126.243	C5	C4	H9	123.289
O6	C2	H7	111.250	H8	C3	H11	108.187

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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