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	hartrees
Energy at 0K	-229.812450
Energy at 298.15K	-229.819926
Nuclear repulsion energy	175.820699

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3381	3062	11.67
2	A₁	3149	2852	16.67
3	A₁	1846	1671	0.30
4	A₁	1661	1504	0.15
5	A₁	1541	1395	11.90
6	A₁	1212	1097	0.86
7	A₁	1055	955	19.43
8	A₁	1016	920	12.69
9	A₁	811	734	8.32
10	A₂	3166	2867	0.00
11	A₂	1334	1208	0.00
12	A₂	1169	1058	0.00
13	A₂	1069	968	0.00
14	A₂	429	388	0.00
15	B₁	3170	2870	129.91
16	B₁	1301	1178	0.70
17	B₁	1139	1031	27.45
18	B₁	763	691	27.33
19	B₁	140	126	8.34
20	B₂	3354	3037	4.90
21	B₂	3142	2845	168.11
22	B₂	1649	1493	5.69
23	B₂	1502	1360	4.56
24	B₂	1448	1312	0.42
25	B₂	1265	1145	135.90
26	B₂	981	888	0.02
27	B₂	877	795	1.92

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.168
C2	0.000	1.159	0.376
C3	0.000	0.656	-1.039
C4	0.000	-0.656	-1.039
C5	0.000	-1.159	0.376
H6	0.878	1.763	0.602
H7	-0.878	1.763	0.602
H8	-0.878	-1.763	0.602
H9	0.878	-1.763	0.602
H10	0.000	1.304	-1.895
H11	0.000	-1.304	-1.895

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
O1		1.4034	2.3024	2.3024	1.4034	2.0491	2.0491	2.0491	2.0491	3.3286	3.3286
C2	1.4034		1.5027	2.3016	2.3182	1.0891	1.0891	3.0593	3.0593	2.2759	3.3505
C3	2.3024	1.5027		1.3111	2.3016	2.1657	2.1657	3.0517	3.0517	1.0734	2.1381
C4	2.3024	2.3016	1.3111		1.5027	3.0517	3.0517	2.1657	2.1657	2.1381	1.0734
C5	1.4034	2.3182	2.3016	1.5027		3.0593	3.0593	1.0891	1.0891	3.3505	2.2759
H6	2.0491	1.0891	2.1657	3.0517	3.0593		1.7561	3.9387	3.5256	2.6860	4.0508
H7	2.0491	1.0891	2.1657	3.0517	3.0593	1.7561		3.5256	3.9387	2.6860	4.0508
H8	2.0491	3.0593	3.0517	2.1657	1.0891	3.9387	3.5256		1.7561	4.0508	2.6860
H9	2.0491	3.0593	3.0517	2.1657	1.0891	3.5256	3.9387	1.7561		4.0508	2.6860
H10	3.3286	2.2759	1.0734	2.1381	3.3505	2.6860	2.6860	4.0508	4.0508		2.6080
H11	3.3286	3.3505	2.1381	1.0734	2.2759	4.0508	4.0508	2.6860	2.6860	2.6080

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	104.741	O1	C2	H6	109.947
O1	C2	H7	109.947	O1	C5	C4	104.741
O1	C5	H8	109.947	O1	C5	H9	109.947
C2	O1	C5	111.360	C2	C3	C4	109.578
C2	C3	H10	123.259	C3	C2	H6	112.375
C3	C2	H7	112.375	C3	C4	C5	109.578
C3	C4	H11	127.163	C4	C3	H10	127.163
C4	C5	H8	112.375	C4	C5	H9	112.375
C5	C4	H11	123.259	H6	C2	H7	107.452
H8	C5	H9	107.452

All results from a given calculation for C₄H₆O (Furan, 2,5-dihydro-)

using model chemistry: HF/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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Number	Element	Mulliken
1	O	-0.475
2	C	0.005
3	C	-0.166
4	C	-0.166
5	C	0.005
6	H	0.123
7	H	0.123
8	H	0.123
9	H	0.123
10	H	0.152
11	H	0.152

<r²>	92.788
(<r²>)^1/2	9.633

All results from a given calculation for C4H6O (Furan, 2,5-dihydro-)

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

States and conformations

All results from a given calculation for C₄H₆O (Furan, 2,5-dihydro-)