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	hartrees
Energy at 0K	-269.867349
Energy at 298.15K	-269.876606
HF Energy	-268.863204
Nuclear repulsion energy	238.735264

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3308	3125	1.76
2	A	3222	3043	6.52
3	A	3192	3015	23.42
4	A	3189	3012	6.25
5	A	3161	2986	15.67
6	A	3107	2935	12.20
7	A	3099	2927	40.53
8	A	3093	2921	30.83
9	A	1734	1638	35.76
10	A	1540	1454	0.36
11	A	1518	1433	0.59
12	A	1515	1431	5.04
13	A	1498	1415	6.72
14	A	1434	1355	22.74
15	A	1416	1337	3.20
16	A	1338	1263	11.19
17	A	1285	1214	39.01
18	A	1275	1204	14.99
19	A	1225	1157	4.71
20	A	1217	1149	30.21
21	A	1094	1033	0.35
22	A	1068	1009	7.86
23	A	1058	999	41.36
24	A	1040	982	4.94
25	A	987	932	12.87
26	A	962	909	9.59
27	A	929	877	21.05
28	A	875	826	6.16
29	A	740	699	24.76
30	A	672	635	0.22
31	A	636	601	1.36
32	A	556	525	1.69
33	A	329	311	1.97
34	A	229	216	4.62
35	A	179	169	3.58
36	A	160	151	1.04

Atom	x (Å)	y (Å)	z (Å)
C1	-1.340	-0.811	0.130
H2	-1.933	-1.451	-0.523
H3	-1.545	-1.068	1.174
O4	0.052	-1.089	-0.126
C5	-1.536	0.696	-0.101
H6	-2.237	1.119	0.620
H7	-1.917	0.916	-1.104
C8	-0.115	1.173	0.069
H9	0.206	2.200	0.130
C10	2.181	0.009	0.013
H11	2.531	-0.471	-0.903
H12	2.634	0.997	0.090
H13	2.514	-0.604	0.852
C14	0.699	0.113	0.001

	C1	H2	H3	O4	C5	H6	H7	C8	H9	C10	H11	H12	H13	C14
C1		1.0892	1.0947	1.4422	1.5369	2.1847	2.1998	2.3321	3.3848	3.6167	4.0207	4.3655	3.9264	2.2425
H2	1.0892		1.7815	2.0562	2.2232	2.8293	2.4377	3.2459	4.2813	4.3977	4.5859	5.2170	4.7308	3.1061
H3	1.0947	1.7815		2.0592	2.1763	2.3604	3.0438	2.8790	3.8522	4.0487	4.6137	4.7856	4.0985	2.7945
O4	1.4422	2.0562	2.0592		2.3893	3.2673	2.9760	2.2765	3.3028	2.3994	2.6706	3.3259	2.6930	1.3711
C5	1.5369	2.2232	2.1763	2.3893		1.0913	1.0952	1.5083	2.3134	3.7814	4.3065	4.1849	4.3591	2.3125
H6	2.1847	2.8293	2.3604	3.2673	1.0913		1.7651	2.1931	2.7162	4.5955	5.2522	4.9011	5.0596	3.1655
H7	2.1998	2.4377	3.0438	2.9760	1.0952	1.7651		2.1646	2.7706	4.3428	4.6636	4.7052	5.0766	2.9515
C8	2.3321	3.2459	2.8790	2.2765	1.5083	2.1931	2.1646		1.0781	2.5746	3.2633	2.7547	3.2689	1.3386
H9	3.3848	4.2813	3.8522	3.3028	2.3134	2.7162	2.7706	1.0781		2.9517	3.6888	2.7098	3.7031	2.1486
C10	3.6167	4.3977	4.0487	2.3994	3.7814	4.5955	4.3428	2.5746	2.9517		1.0920	1.0890	1.0917	1.4849
H11	4.0207	4.5859	4.6137	2.6706	4.3065	5.2522	4.6636	3.2633	3.6888	1.0920		1.7750	1.7602	2.1243
H12	4.3655	5.2170	4.7856	3.3259	4.1849	4.9011	4.7052	2.7547	2.7098	1.0890	1.7750		1.7770	2.1284
H13	3.9264	4.7308	4.0985	2.6930	4.3591	5.0596	5.0766	3.2689	3.7031	1.0917	1.7602	1.7770		2.1288
C14	2.2425	3.1061	2.7945	1.3711	2.3125	3.1655	2.9515	1.3386	2.1486	1.4849	2.1243	2.1284	2.1288

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C14	105.679	C1	C5	H6	111.323
C1	C5	H7	112.302	C1	C5	C8	99.959
H2	C1	H3	109.324	H2	C1	O4	107.824
H2	C1	C5	114.610	H3	C1	O4	107.740
H3	C1	C5	110.459	O4	C1	C5	106.605
O4	C14	C8	114.298	O4	C14	C10	114.241
C5	C8	H9	126.056	C5	C8	C14	108.493
H6	C5	H7	107.657	H6	C5	C8	114.085
H7	C5	C8	111.505	C8	C14	C10	131.449
H9	C8	C14	125.165	H11	C10	H12	108.949
H11	C10	H13	107.429	H11	C10	C14	110.116
H12	C10	H13	109.157	H12	C10	C14	110.626
H13	C10	C14	110.491

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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