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	hartrees
Energy at 0K	-49.028555
Energy at 298.15K	-49.037642
Nuclear repulsion energy	127.855922

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3214	3116	8.34
2	A	3117	3022	23.53
3	A	3099	3004	56.04
4	A	3074	2980	23.72
5	A	3049	2955	63.11
6	A	3020	2928	33.01
7	A	3019	2927	56.68
8	A	2991	2900	71.19
9	A	1696	1644	58.33
10	A	1528	1481	0.17
11	A	1506	1460	0.22
12	A	1498	1452	6.05
13	A	1481	1436	7.89
14	A	1421	1378	12.98
15	A	1398	1355	7.39
16	A	1318	1278	10.35
17	A	1258	1219	33.50
18	A	1243	1205	15.60
19	A	1204	1167	6.01
20	A	1188	1151	55.03
21	A	1076	1043	0.11
22	A	1055	1023	3.05
23	A	1029	998	31.85
24	A	1007	977	21.29
25	A	965	936	21.13
26	A	923	894	21.67
27	A	899	872	23.87
28	A	847	821	5.82
29	A	718	696	36.01
30	A	685	664	1.95
31	A	618	599	1.06
32	A	543	526	1.33
33	A	328	318	2.36
34	A	223	216	6.90
35	A	172	167	2.97
36	A	123	120	1.46

Atom	x (Å)	y (Å)	z (Å)
C1	-1.379	-0.811	0.095
H2	-1.941	-1.410	-0.630
H3	-1.646	-1.135	1.111
O4	0.041	-1.098	-0.099
C5	-1.551	0.727	-0.074
H6	-2.216	1.143	0.694
H7	-1.978	0.994	-1.054
C8	-0.103	1.187	0.054
H9	0.224	2.220	0.106
C10	2.208	0.002	0.009
H11	2.558	-0.491	-0.909
H12	2.669	0.992	0.076
H13	2.547	-0.608	0.857
C14	0.710	0.116	0.003

	C1	H2	H3	O4	C5	H6	H7	C8	H9	C10	H11	H12	H13	C14
C1		1.0949	1.0994	1.4618	1.5572	2.2091	2.2217	2.3718	3.4299	3.6798	4.0759	4.4326	4.0051	2.2874
H2	1.0949		1.7872	2.0755	2.2422	2.8892	2.4406	3.2544	4.2906	4.4294	4.6005	5.2466	4.7957	3.1231
H3	1.0994	1.7872		2.0764	2.2093	2.3852	3.0544	2.9817	3.9708	4.1670	4.7083	4.9214	4.2338	2.8883
O4	1.4618	2.0755	2.0764		2.4217	3.2780	3.0596	2.2948	3.3295	2.4329	2.7129	3.3629	2.7268	1.3892
C5	1.5572	2.2422	2.2093	2.4217		1.0981	1.1018	1.5245	2.3269	3.8296	4.3662	4.2315	4.4096	2.3432
H6	2.2091	2.8892	2.3852	3.2780	1.0981		1.7711	2.2080	2.7317	4.6203	5.2944	4.9267	5.0775	3.1771
H7	2.2217	2.4406	3.0544	3.0596	1.1018	1.7711		2.1864	2.7752	4.4316	4.7749	4.7829	5.1667	3.0185
C8	2.3718	3.2544	2.9817	2.2948	1.5245	2.2080	2.1864		1.0850	2.5984	3.2903	2.7797	3.3005	1.3463
H9	3.4299	4.2906	3.9708	3.3295	2.3269	2.7317	2.7752	1.0850		2.9778	3.7182	2.7362	3.7361	2.1624
C10	3.6798	4.4294	4.1670	2.4329	3.8296	4.6203	4.4316	2.5984	2.9778		1.0985	1.0947	1.0982	1.5030
H11	4.0759	4.6005	4.7083	2.7129	4.3662	5.2944	4.7749	3.2903	3.7182	1.0985		1.7837	1.7695	2.1481
H12	4.4326	5.2466	4.9214	3.3629	4.2315	4.9267	4.7829	2.7797	2.7362	1.0947	1.7837		1.7850	2.1482
H13	4.0051	4.7957	4.2338	2.7268	4.4096	5.0775	5.1667	3.3005	3.7361	1.0982	1.7695	1.7850		2.1517
C14	2.2874	3.1231	2.8883	1.3892	2.3432	3.1771	3.0185	1.3463	2.1624	1.5030	2.1481	2.1482	2.1517

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C14	106.678	C1	C5	H6	111.423
C1	C5	H7	112.210	C1	C5	C8	100.634
H2	C1	H3	109.070	H2	C1	O4	107.672
H2	C1	C5	114.306	H3	C1	O4	107.489
H3	C1	C5	111.367	O4	C1	C5	106.631
O4	C14	C8	114.041	O4	C14	C10	114.473
C5	C8	H9	125.335	C5	C8	C14	109.263
H6	C5	H7	107.235	H6	C5	C8	113.686
H7	C5	C8	111.706	C8	C14	C10	131.474
H9	C8	C14	125.264	H11	C10	H12	108.842
H11	C10	H13	107.326	H11	C10	C14	110.359
H12	C10	H13	108.975	H12	C10	C14	110.597
H13	C10	C14	110.660

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

using model chemistry: B3LYP/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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Number	Element	Mulliken
1	C	-0.142
2	H	0.165
3	H	0.150
4	O	-0.241
5	C	-0.365
6	H	0.162
7	H	0.157
8	C	-0.256
9	H	0.210
10	C	-0.678
11	H	0.179
12	H	0.181
13	H	0.178
14	C	0.300

	x	y	z	Total
	-0.475	0.729	0.124	0.879
CHELPG
AIM
ESP

	x	y	z
x	10.730	-0.591	0.013
y	-0.591	9.174	0.005
z	0.013	0.005	6.669

<r²>	131.469
(<r²>)^1/2	11.466

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

using model chemistry: B3LYP/CEP-121G*

States and conformations

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