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	hartrees
Energy at 0K	-628.186214
Energy at 298.15K	-628.193480
HF Energy	-627.302864
Nuclear repulsion energy	288.700140

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3816	3580	49.40
2	A	3309	3105	5.25
3	A	3211	3013	8.15
4	A	3144	2950	28.19
5	A	3122	2929	9.95
6	A	3081	2891	30.73
7	A	1789	1678	26.56
8	A	1554	1458	2.50
9	A	1536	1441	2.80
10	A	1433	1344	123.36
11	A	1371	1286	19.48
12	A	1346	1263	54.77
13	A	1288	1208	0.07
14	A	1236	1159	17.12
15	A	1207	1132	69.60
16	A	1185	1112	13.50
17	A	1053	988	2.65
18	A	1032	969	1.14
19	A	949	891	19.50
20	A	856	803	28.04
21	A	843	791	0.76
22	A	809	759	37.89
23	A	721	677	2.08
24	A	558	524	3.22
25	A	518	486	1.52
26	A	453	425	8.28
27	A	384	360	6.43
28	A	260	244	42.38
29	A	240	225	88.17
30	A	170	159	6.08

Atom	x (Å)	y (Å)	z (Å)
S1	-1.558	-0.543	-0.082
C2	0.110	-1.121	0.083
C3	1.030	-0.155	0.018
C4	0.486	1.237	-0.202
C5	-0.986	1.175	0.226
O6	2.377	-0.388	0.001
H7	0.312	-2.180	0.178
H8	1.030	1.988	0.385
H9	-1.614	1.869	-0.333
H10	0.589	1.509	-1.262
H11	-1.081	1.390	1.294
H12	2.842	0.407	0.296

	S1	C2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12
S1		1.7736	2.6193	2.7131	1.8363	3.9396	2.4993	3.6502	2.4252	3.1952	2.4205	4.5176
C2	1.7736		1.3358	2.4045	2.5479	2.3841	1.0822	3.2561	3.4764	2.9922	3.0315	3.1373
C3	2.6193	1.3358		1.5102	2.4242	1.3674	2.1546	2.1739	3.3483	2.1445	2.9108	1.9172
C4	2.7131	2.4045	1.5102		1.5348	2.5017	3.4421	1.0976	2.1974	1.0987	2.1718	2.5470
C5	1.8363	2.5479	2.4242	1.5348		3.7158	3.5973	2.1802	1.0907	2.1925	1.0929	3.9052
O6	3.9396	2.3841	1.3674	2.5017	3.7158		2.7398	2.7581	4.5978	2.8970	4.0980	0.9668
H7	2.4993	1.0822	2.1546	3.4421	3.5973	2.7398		4.2342	4.5126	3.9692	3.9915	3.6201
H8	3.6502	3.2561	2.1739	1.0976	2.1802	2.7581	4.2342		2.7430	1.7707	2.3750	2.4063
H9	2.4252	3.4764	3.3483	2.1974	1.0907	4.5978	4.5126	2.7430		2.4177	1.7777	4.7321
H10	3.1952	2.9922	2.1445	1.0987	2.1925	2.8970	3.9692	1.7707	2.4177		3.0548	2.9526
H11	2.4205	3.0315	2.9108	2.1718	1.0929	4.0980	3.9915	2.3750	1.7777	3.0548		4.1658
H12	4.5176	3.1373	1.9172	2.5470	3.9052	0.9668	3.6201	2.4063	4.7321	2.9526	4.1658

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	114.053	S1	C2	H7	120.183
S1	C5	C4	106.843	S1	C5	H9	109.239
S1	C5	H11	108.782	C2	S1	C5	89.775
C2	C3	C4	115.182	C2	C3	O6	123.763
C3	C2	H7	125.697	C3	C4	C5	105.525
C3	C4	H8	111.971	C3	C4	H10	109.558
C3	O6	H12	109.244	C4	C3	C5	37.589
C4	C5	H9	112.543	C4	C5	H11	110.351
C5	C4	H8	110.738	C5	C4	H10	111.650
H8	C4	H10	107.451	H9	C5	H11	108.998

All results from a given calculation for C₄H₆OS (4,5-dihydrothiophene-3-ol)

using model chemistry: MP3=FULL/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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All results from a given calculation for C4H6OS (4,5-dihydrothiophene-3-ol)

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

States and conformations

All results from a given calculation for C₄H₆OS (4,5-dihydrothiophene-3-ol)