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	hartrees
Energy at 0K	-269.798903
Energy at 298.15K	-269.808224
HF Energy	-268.852429
Nuclear repulsion energy	238.346008

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3338	3110	3.64
2	A	3238	3017	14.88
3	A	3225	3004	32.45
4	A	3209	2990	10.96
5	A	3184	2966	27.43
6	A	3134	2920	19.01
7	A	3132	2918	49.66
8	A	3119	2906	41.29
9	A	1789	1666	46.67
10	A	1577	1469	0.36
11	A	1555	1448	0.56
12	A	1547	1441	5.28
13	A	1524	1420	6.97
14	A	1475	1374	19.02
15	A	1446	1347	9.84
16	A	1378	1284	9.22
17	A	1315	1225	49.55
18	A	1292	1203	10.67
19	A	1245	1160	41.49
20	A	1239	1155	6.01
21	A	1117	1040	0.53
22	A	1092	1017	33.71
23	A	1087	1013	17.19
24	A	1060	987	2.81
25	A	1003	935	9.15
26	A	969	903	14.64
27	A	937	873	32.00
28	A	893	832	7.74
29	A	743	693	37.41
30	A	693	645	1.08
31	A	641	597	1.68
32	A	550	513	1.02
33	A	340	316	2.71
34	A	232	216	5.89
35	A	178	165	5.73
36	A	164	153	0.77

Atom	x (Å)	y (Å)	z (Å)
C1	-1.361	-0.821	0.065
H2	-1.879	-1.372	-0.716
H3	-1.691	-1.193	1.034
O4	0.049	-1.092	-0.063
C5	-1.537	0.713	-0.050
H6	-2.159	1.103	0.755
H7	-2.006	1.001	-0.992
C8	-0.101	1.177	0.034
H9	0.219	2.204	0.068
C10	2.193	0.000	0.007
H11	2.534	-0.512	-0.892
H12	2.646	0.987	0.047
H13	2.524	-0.580	0.866
C14	0.708	0.112	0.000

	C1	H2	H3	O4	C5	H6	H7	C8	H9	C10	H11	H12	H13	C14
C1		1.0871	1.0900	1.4410	1.5482	2.1938	2.2027	2.3623	3.4124	3.6481	4.0225	4.3954	3.9737	2.2701
H2	1.0871		1.7695	2.0547	2.2152	2.8918	2.3921	3.1974	4.2193	4.3578	4.4998	5.1595	4.7451	3.0671
H3	1.0900	1.7695		2.0594	2.1985	2.3596	3.0035	3.0244	4.0152	4.1914	4.6932	4.9532	4.2624	2.9201
O4	1.4410	2.0547	2.0594		2.4026	3.2186	3.0763	2.2760	3.3030	2.4076	2.6834	3.3282	2.6928	1.3737
C5	1.5482	2.2152	2.1985	2.4026		1.0892	1.0911	1.5118	2.3064	3.7983	4.3340	4.1929	4.3593	2.3248
H6	2.1938	2.8918	2.3596	3.2186	1.0892		1.7567	2.1823	2.7092	4.5521	5.2295	4.8585	4.9778	3.1262
H7	2.2027	2.3921	3.0035	3.0763	1.0911	1.7567		2.1713	2.7422	4.4307	4.7863	4.7663	5.1451	3.0233
C8	2.3623	3.1974	3.0244	2.2760	1.5118	2.1823	2.1713		1.0760	2.5786	3.2640	2.7532	3.2664	1.3381
H9	3.4124	4.2193	4.0152	3.3030	2.3064	2.7092	2.7422	1.0760		2.9600	3.6961	2.7156	3.7022	2.1501
C10	3.6481	4.3578	4.1914	2.4076	3.7983	4.5521	4.4307	2.5786	2.9600		1.0889	1.0860	1.0888	1.4895
H11	4.0225	4.4998	4.6932	2.6834	4.3340	5.2295	4.7863	3.2640	3.6961	1.0889		1.7720	1.7596	2.1259
H12	4.3954	5.1595	4.9532	3.3282	4.1929	4.8585	4.7663	2.7532	2.7156	1.0860	1.7720		1.7726	2.1267
H13	3.9737	4.7451	4.2624	2.6928	4.3593	4.9778	5.1451	3.2664	3.7022	1.0888	1.7596	1.7726		2.1275
C14	2.2701	3.0671	2.9201	1.3737	2.3248	3.1262	3.0233	1.3381	2.1501	1.4895	2.1259	2.1267	2.1275

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C14	107.493	C1	C5	H6	111.376
C1	C5	H7	111.974	C1	C5	C8	101.058
H2	C1	H3	108.732	H2	C1	O4	107.911
H2	C1	C5	113.246	H3	C1	O4	108.114
H3	C1	C5	111.709	O4	C1	C5	106.928
O4	C14	C8	114.123	O4	C14	C10	114.408
C5	C8	H9	125.213	C5	C8	C14	109.169
H6	C5	H7	107.354	H6	C5	C8	113.074
H7	C5	C8	112.048	C8	C14	C10	131.467
H9	C8	C14	125.556	H11	C10	H12	109.115
H11	C10	H13	107.804	H11	C10	C14	110.102
H12	C10	H13	109.185	H12	C10	C14	110.342
H13	C10	C14	110.241

All results from a given calculation for C₅H₈O (Furan, 2,3-dihydro-5-methyl-)

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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All results from a given calculation for C5H8O (Furan, 2,3-dihydro-5-methyl-)

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

States and conformations

All results from a given calculation for C₅H₈O (Furan, 2,3-dihydro-5-methyl-)