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	hartrees
Energy at 0K	-628.257413
Energy at 298.15K	-628.264789
HF Energy	-627.323199
Nuclear repulsion energy	292.375279

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3951	3681	52.30
2	A	3330	3103	7.92
3	A	3302	3076	1.32
4	A	3193	2975	19.36
5	A	3137	2923	26.53
6	A	3122	2908	15.10
7	A	1694	1578	13.08
8	A	1538	1433	3.00
9	A	1467	1367	7.52
10	A	1399	1303	5.24
11	A	1364	1270	15.88
12	A	1337	1246	25.08
13	A	1301	1212	76.71
14	A	1195	1114	3.17
15	A	1168	1088	10.28
16	A	1149	1071	129.99
17	A	1056	984	3.26
18	A	1022	952	23.03
19	A	979	912	5.94
20	A	944	880	0.50
21	A	825	769	24.11
22	A	717	668	22.70
23	A	692	645	36.18
24	A	673	627	31.87
25	A	496	462	2.11
26	A	476	443	6.92
27	A	406	378	1.29
28	A	340	317	8.46
29	A	306	285	130.66
30	A	81	76	1.62

Atom	x (Å)	y (Å)	z (Å)
S1	-0.234	-1.285	-0.039
C2	0.847	0.169	0.385
C3	0.087	1.421	-0.061
C4	-1.381	1.086	-0.014
C5	-1.651	-0.225	-0.034
O6	2.093	0.142	-0.254
H7	0.964	0.165	1.470
H8	0.396	1.659	-1.082
H9	-2.143	1.849	-0.029
H10	-2.631	-0.673	-0.056
H11	0.351	2.266	0.572
H12	2.646	-0.546	0.123

	S1	C2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12
S1		1.8607	2.7245	2.6333	1.7691	2.7384	2.4114	3.1861	3.6700	2.4736	3.6499	2.9777
C2	1.8607		1.5309	2.4417	2.5632	1.4009	1.0915	2.1391	3.4550	3.6052	2.1625	1.9538
C3	2.7245	1.5309		1.5059	2.3933	2.3870	2.1664	1.0928	2.2710	3.4303	1.0887	3.2331
C4	2.6333	2.4417	1.5059		1.3385	3.6078	2.9239	2.1509	1.0794	2.1578	2.1762	4.3470
C5	1.7691	2.5632	2.3933	1.3385		3.7683	3.0420	2.9726	2.1323	1.0776	3.2527	4.3116
O6	2.7384	1.4009	2.3870	3.6078	3.7683		2.0613	2.4221	4.5730	4.7978	2.8680	0.9601
H7	2.4114	1.0915	2.1664	2.9239	3.0420	2.0613		3.0116	3.8397	3.9941	2.3657	2.2694
H8	3.1861	2.1391	1.0928	2.1509	2.9726	2.4221	3.0116		2.7553	3.9563	1.7623	3.3731
H9	3.6700	3.4550	2.2710	1.0794	2.1323	4.5730	3.8397	2.7553		2.5691	2.5995	5.3572
H10	2.4736	3.6052	3.4303	2.1578	1.0776	4.7978	3.9941	3.9563	2.5691		4.2333	5.2812
H11	3.6499	2.1625	1.0887	2.1762	3.2527	2.8680	2.3657	1.7623	2.5995	4.2333		3.6572
H12	2.9777	1.9538	3.2331	4.3470	4.3116	0.9601	2.2694	3.3731	5.3572	5.2812	3.6572

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	106.486	S1	C2	O6	113.446
S1	C2	H7	106.610	S1	C5	C4	115.158
S1	C5	H10	118.644	C2	S1	C5	89.807
C2	C3	C4	107.030	C2	C3	H8	108.067
C2	C3	H11	110.133	C2	O6	H12	110.297
C3	C2	O6	108.929	C3	C2	H7	110.273
C3	C4	C5	114.452	C3	C4	H9	122.037
C4	C3	H8	110.717	C4	C3	H11	113.032
C4	C5	H10	126.196	C5	C4	H9	123.389
O6	C2	H7	110.983	H8	C3	H11	107.768

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

using model chemistry: MP3=FULL/6-31+G**

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: MP3=FULL/6-31+G**

States and conformations

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