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	hartrees
Energy at 0K	-229.858045
Energy at 298.15K	-229.865012
Nuclear repulsion energy	170.001324

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3200	3182	6.32
2	A	3171	3153	2.43
3	A	3056	3039	40.11
4	A	3007	2991	42.30
5	A	2994	2977	13.71
6	A	2969	2953	37.48
7	A	1610	1601	33.06
8	A	1529	1521	0.13
9	A	1508	1500	0.44
10	A	1352	1344	1.58
11	A	1288	1281	8.14
12	A	1262	1255	13.43
13	A	1243	1236	0.57
14	A	1163	1157	1.25
15	A	1144	1138	15.95
16	A	1046	1041	0.12
17	A	996	990	66.01
18	A	946	941	1.26
19	A	888	883	4.43
20	A	877	872	24.18
21	A	841	836	20.62
22	A	815	810	0.04
23	A	802	797	1.69
24	A	693	689	42.27
25	A	674	670	3.16
26	A	438	436	24.65
27	A	75	74	1.41

Atom	x (Å)	y (Å)	z (Å)
H1	-0.941	2.152	0.000
C2	-0.531	1.148	0.000
H3	-2.306	-0.161	0.000
C4	-1.231	0.001	0.000
O5	-0.475	-1.195	-0.000
H6	1.483	1.237	0.894
H7	1.482	1.236	-0.895
C8	0.976	0.834	-0.000
H9	1.449	-1.166	0.903
H10	1.450	-1.167	-0.901
C11	0.984	-0.745	0.000

	H1	C2	H3	C4	O5	H6	H7	C8	H9	H10	C11
H1		1.0852	2.6857	2.1713	3.3801	2.7408	2.7410	2.3267	4.1877	4.1892	3.4783
C2	1.0852		2.2053	1.3441	2.3438	2.2049	2.2048	1.5394	3.1759	3.1772	2.4240
H3	2.6857	2.2053		1.0868	2.1035	4.1363	4.1353	3.4298	3.9907	3.9919	3.3412
C4	2.1713	1.3441	1.0868		1.4153	3.1136	3.1128	2.3598	3.0593	3.0604	2.3370
O5	3.3801	2.3438	2.1035	1.4153		3.2478	3.2467	2.4950	2.1254	2.1254	1.5263
H6	2.7408	2.2049	4.1363	3.1136	3.2478		1.7891	1.1037	2.4029	2.9999	2.2304
H7	2.7410	2.2048	4.1353	3.1128	3.2467	1.7891		1.1037	3.0007	2.4032	2.2305
C8	2.3267	1.5394	3.4298	2.3598	2.4950	1.1037	1.1037		2.2449	2.2451	1.5792
H9	4.1877	3.1759	3.9907	3.0593	2.1254	2.4029	3.0007	2.2449		1.8038	1.0992
H10	4.1892	3.1772	3.9919	3.0604	2.1254	2.9999	2.4032	2.2451	1.8038		1.0992
C11	3.4783	2.4240	3.3412	2.3370	1.5263	2.2304	2.2305	1.5792	1.0992	1.0992

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	126.380	H1	C2	C8	123.958
C2	C4	H3	129.940	C2	C4	O5	116.270
C2	C8	H6	112.016	C2	C8	H7	112.005
C2	C8	C11	102.013	H3	C4	O5	113.790
C4	C2	C8	109.662	C4	O5	C11	105.152
O5	C11	C8	106.903	O5	C11	H9	106.970
O5	C11	H10	106.971	H6	C8	H7	108.291
H6	C8	C11	111.238	H7	C8	C11	111.241
C8	C11	H9	112.661	C8	C11	H10	112.676
H9	C11	H10	110.272

All results from a given calculation for C₄H₆O (Furan, 2,3-dihydro-)

using model chemistry: BLYP/3-21G

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	H	0.157
2	C	-0.227
3	H	0.192
4	C	0.095
5	O	-0.428
6	H	0.191
7	H	0.191
8	C	-0.403
9	H	0.197
10	H	0.197
11	C	-0.164

	x	y	z	Total
	0.908	0.944	0.001	1.310
CHELPG
AIM
ESP

<r²>	97.932
(<r²>)^1/2	9.896

All results from a given calculation for C4H6O (Furan, 2,3-dihydro-)

using model chemistry: BLYP/3-21G

States and conformations

All results from a given calculation for C₄H₆O (Furan, 2,3-dihydro-)