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	hartrees
Energy at 0K	-48.211720
Energy at 298.15K	-48.220733
HF Energy	-47.648898
Nuclear repulsion energy	125.495705

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3189	3113	8.32
2	A	3113	3039	42.85
3	A	3095	3021	24.24
4	A	3078	3004	21.50
5	A	3049	2976	36.13
6	A	3014	2941	50.14
7	A	2984	2912	57.18
8	A	2980	2908	28.14
9	A	1663	1623	24.85
10	A	1535	1498	0.71
11	A	1525	1489	9.00
12	A	1520	1484	0.38
13	A	1493	1457	9.65
14	A	1459	1424	7.77
15	A	1383	1350	2.25
16	A	1345	1312	6.55
17	A	1267	1237	28.14
18	A	1228	1198	5.08
19	A	1189	1161	37.94
20	A	1167	1139	11.52
21	A	1100	1073	0.84
22	A	1073	1048	0.92
23	A	1049	1024	3.48
24	A	1002	978	14.82
25	A	921	898	41.15
26	A	917	895	12.46
27	A	860	839	20.89
28	A	819	800	21.73
29	A	686	669	21.83
30	A	665	649	16.74
31	A	602	588	2.27
32	A	494	482	3.60
33	A	320	312	3.08
34	A	222	217	7.97
35	A	153	150	3.25
36	A	128	125	3.74

Atom	x (Å)	y (Å)	z (Å)
C1	-1.432	-0.816	0.109
H2	-1.984	-1.416	-0.626
H3	-1.676	-1.130	1.137
O4	0.042	-1.134	-0.110
C5	-1.573	0.743	-0.079
H6	-2.230	1.174	0.695
H7	-1.993	0.994	-1.070
C8	-0.104	1.208	0.052
H9	0.217	2.248	0.104
C10	2.250	-0.002	0.014
H11	2.597	-0.510	-0.901
H12	2.714	0.996	0.069
H13	2.576	-0.600	0.881
C14	0.740	0.129	-0.003

	C1	H2	H3	O4	C5	H6	H7	C8	H9	C10	H11	H12	H13	C14
C1		1.0978	1.1022	1.5236	1.5763	2.2222	2.2316	2.4213	3.4792	3.7720	4.1642	4.5243	4.0867	2.3710
H2	1.0978		1.8120	2.1096	2.2648	2.9175	2.4507	3.2988	4.3361	4.5098	4.6776	5.3265	4.8710	3.1932
H3	1.1022	1.8120		2.1223	2.2354	2.4102	3.0794	3.0188	4.0076	4.2361	4.7736	4.9926	4.2916	2.9527
O4	1.5236	2.1096	2.1223		2.4765	3.3371	3.0975	2.3526	3.3937	2.4849	2.7461	3.4218	2.7725	1.4472
C5	1.5763	2.2648	2.2354	2.4765		1.1030	1.1053	1.5467	2.3457	3.8960	4.4307	4.2969	4.4647	2.3945
H6	2.2222	2.9175	2.4102	3.3371	1.1030		1.7900	2.2214	2.7370	4.6814	5.3551	4.9865	5.1254	3.2249
H7	2.2316	2.4507	3.0794	3.0975	1.1053	1.7900		2.2084	2.7992	4.4916	4.8333	4.8434	5.2174	3.0596
C8	2.4213	3.2988	3.0188	2.3526	1.5467	2.2214	2.2084		1.0895	2.6468	3.3396	2.8257	3.3365	1.3713
H9	3.4792	4.3361	4.0076	3.3937	2.3457	2.7370	2.7992	1.0895		3.0336	3.7788	2.7938	3.7784	2.1856
C10	3.7720	4.5098	4.2361	2.4849	3.8960	4.6814	4.4916	2.6468	3.0336		1.1024	1.1013	1.1022	1.5156
H11	4.1642	4.6776	4.7736	2.7461	4.4307	5.3551	4.8333	3.3396	3.7788	1.1024		1.7950	1.7839	2.1589
H12	4.5243	5.3265	4.9926	3.4218	4.2969	4.9865	4.8434	2.8257	2.7938	1.1013	1.7950		1.7952	2.1570
H13	4.0867	4.8710	4.2916	2.7725	4.4647	5.1254	5.2174	3.3365	3.7784	1.1022	1.7839	1.7952		2.1632
C14	2.3710	3.1932	2.9527	1.4472	2.3945	3.2249	3.0596	1.3713	2.1856	1.5156	2.1589	2.1570	2.1632

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C14	105.872	C1	C5	H6	110.835
C1	C5	H7	111.436	C1	C5	C8	101.662
H2	C1	H3	110.900	H2	C1	O4	106.032
H2	C1	C5	114.582	H3	C1	O4	106.750
H3	C1	C5	111.927	O4	C1	C5	106.041
O4	C14	C8	113.145	O4	C14	C10	113.983
C5	C8	H9	124.790	C5	C8	C14	110.150
H6	C5	H7	108.306	H6	C5	C8	112.871
H7	C5	C8	111.679	C8	C14	C10	132.869
H9	C8	C14	124.903	H11	C10	H12	109.085
H11	C10	H13	108.027	H11	C10	C14	110.103
H12	C10	H13	109.113	H12	C10	C14	110.020
H13	C10	C14	110.449

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

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

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