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	hartrees
Energy at 0K	-270.568268
Energy at 298.15K	-270.577354
Nuclear repulsion energy	237.827434

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3245	3132	4.27
2	A	3136	3027	13.39
3	A	3095	2987	40.63
4	A	3088	2980	13.57
5	A	3053	2946	46.58
6	A	3036	2930	23.33
7	A	3031	2925	37.31
8	A	3009	2903	52.12
9	A	1736	1676	53.11
10	A	1522	1469	0.19
11	A	1499	1447	0.15
12	A	1488	1436	3.63
13	A	1470	1419	5.87
14	A	1419	1369	19.76
15	A	1405	1355	4.47
16	A	1319	1272	10.61
17	A	1271	1227	39.25
18	A	1252	1208	4.33
19	A	1210	1167	9.73
20	A	1203	1161	36.31
21	A	1081	1043	0.19
22	A	1062	1025	3.49
23	A	1040	1004	33.86
24	A	1020	984	16.16
25	A	988	953	22.95
26	A	934	901	16.86
27	A	912	880	18.64
28	A	846	817	2.68
29	A	736	710	20.46
30	A	713	688	1.99
31	A	634	612	0.80
32	A	563	543	1.34
33	A	332	321	1.87
34	A	224	216	5.74
35	A	170	164	1.52
36	A	80	77	1.23

Atom	x (Å)	y (Å)	z (Å)
C1	-1.363	-0.819	0.065
H2	-1.886	-1.381	-0.714
H3	-1.689	-1.194	1.042
O4	0.051	-1.093	-0.065
C5	-1.536	0.716	-0.050
H6	-2.169	1.111	0.754
H7	-2.009	1.010	-0.996
C8	-0.098	1.173	0.035
H9	0.225	2.203	0.067
C10	2.191	0.003	0.007
H11	2.543	-0.515	-0.892
H12	2.649	0.993	0.045
H13	2.534	-0.580	0.869
C14	0.706	0.110	0.000

	C1	H2	H3	O4	C5	H6	H7	C8	H9	C10	H11	H12	H13	C14
C1		1.0929	1.0961	1.4458	1.5493	2.2020	2.2114	2.3602	3.4140	3.6481	4.0330	4.4026	3.9862	2.2690
H2	1.0929		1.7762	2.0631	2.2267	2.9049	2.4104	3.2059	4.2318	4.3653	4.5168	5.1750	4.7627	3.0743
H3	1.0961	1.7762		2.0643	2.2052	2.3719	3.0192	3.0248	4.0191	4.1899	4.7022	4.9595	4.2707	2.9190
O4	1.4458	2.0631	2.0643		2.4065	3.2328	3.0877	2.2731	3.3027	2.4052	2.6888	3.3337	2.7019	1.3712
C5	1.5493	2.2267	2.2052	2.4065		1.0957	1.0984	1.5114	2.3083	3.7953	4.3437	4.1960	4.3693	2.3233
H6	2.2020	2.9049	2.3719	3.2328	1.0957		1.7600	2.1925	2.7194	4.5594	5.2489	4.8712	4.9985	3.1355
H7	2.2114	2.4104	3.0192	3.0877	1.0984	1.7600		2.1773	2.7472	4.4342	4.8022	4.7736	5.1622	3.0292
C8	2.3602	3.2059	3.0248	2.2731	1.5114	2.1925	2.1773		1.0796	2.5711	3.2689	2.7537	3.2710	1.3336
H9	3.4140	4.2318	4.0191	3.3027	2.3083	2.7194	2.7472	1.0796		2.9504	3.6982	2.7091	3.7034	2.1481
C10	3.6481	4.3653	4.1899	2.4052	3.7953	4.5594	4.4342	2.5711	2.9504		1.0957	1.0915	1.0956	1.4888
H11	4.0330	4.5168	4.7022	2.6888	4.3437	5.2489	4.8022	3.2689	3.6982	1.0957		1.7784	1.7621	2.1360
H12	4.4026	5.1750	4.9595	3.3337	4.1960	4.8712	4.7736	2.7537	2.7091	1.0915	1.7784		1.7793	2.1350
H13	3.9862	4.7627	4.2707	2.7019	4.3693	4.9985	5.1622	3.2710	3.7034	1.0956	1.7621	1.7793		2.1382
C14	2.2690	3.0743	2.9190	1.3712	2.3233	3.1355	3.0292	1.3336	2.1481	1.4888	2.1360	2.1350	2.1382

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C14	107.277	C1	C5	H6	111.568
C1	C5	H7	112.158	C1	C5	C8	100.906
H2	C1	H3	108.470	H2	C1	O4	107.905
H2	C1	C5	113.745	H3	C1	O4	107.811
H3	C1	C5	111.796	O4	C1	C5	106.877
O4	C14	C8	114.361	O4	C14	C10	114.430
C5	C8	H9	125.142	C5	C8	C14	109.341
H6	C5	H7	106.677	H6	C5	C8	113.527
H7	C5	C8	112.116	C8	C14	C10	131.206
H9	C8	C14	125.452	H11	C10	H12	108.790
H11	C10	H13	107.051	H11	C10	C14	110.553
H12	C10	H13	108.878	H12	C10	C14	110.727
H13	C10	C14	110.740

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

using model chemistry: B3LYP/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	C	-0.081
2	H	0.112
3	H	0.108
4	O	-0.272
5	C	-0.266
6	H	0.107
7	H	0.107
8	C	-0.254
9	H	0.090
10	C	-0.478
11	H	0.137
12	H	0.130
13	H	0.136
14	C	0.425

	x	y	z	Total
	-0.327	0.602	0.090	0.691
CHELPG
AIM
ESP

	x	y	z
x	10.020	-0.511	0.019
y	-0.511	8.424	-0.011
z	0.019	-0.011	6.016

<r²>	156.231
(<r²>)^1/2	12.499

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

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

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