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	hartrees
Energy at 0K	-48.949735
Energy at 298.15K	-48.958739
Nuclear repulsion energy	126.548067

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3212	3130	8.98
2	A	3107	3028	26.10
3	A	3101	3022	55.07
4	A	3069	2991	24.99
5	A	3036	2958	73.38
6	A	3021	2944	30.82
7	A	2998	2922	35.56
8	A	2984	2908	70.48
9	A	1698	1655	47.98
10	A	1533	1494	0.79
11	A	1517	1479	1.02
12	A	1510	1472	9.55
13	A	1494	1456	10.87
14	A	1439	1402	10.20
15	A	1381	1346	5.22
16	A	1318	1285	5.61
17	A	1262	1229	37.39
18	A	1238	1206	4.30
19	A	1197	1166	39.89
20	A	1187	1156	16.16
21	A	1090	1063	1.24
22	A	1075	1047	3.58
23	A	1041	1015	5.83
24	A	1011	986	18.02
25	A	946	922	46.73
26	A	917	894	20.71
27	A	868	845	25.65
28	A	837	816	6.29
29	A	751	732	38.54
30	A	704	686	1.32
31	A	614	599	1.38
32	A	530	516	0.69
33	A	324	316	3.06
34	A	221	215	10.27
35	A	158	154	2.35
36	A	65	64	2.43

Atom	x (Å)	y (Å)	z (Å)
C1	-1.421	-0.815	0.056
H2	-1.927	-1.357	-0.748
H3	-1.755	-1.202	1.027
O4	0.041	-1.120	-0.059
C5	-1.558	0.743	-0.043
H6	-2.169	1.146	0.776
H7	-2.033	1.054	-0.987
C8	-0.095	1.196	0.031
H9	0.225	2.231	0.061
C10	2.233	-0.003	0.006
H11	2.576	-0.526	-0.897
H12	2.702	0.985	0.042
H13	2.568	-0.589	0.872
C14	0.733	0.123	0.002

	C1	H2	H3	O4	C5	H6	H7	C8	H9	C10	H11	H12	H13	C14
C1		1.0940	1.0969	1.4982	1.5676	2.2190	2.2259	2.4095	3.4627	3.7434	4.1194	4.4997	4.0784	2.3508
H2	1.0940		1.7901	2.0987	2.2464	2.9410	2.4254	3.2380	4.2619	4.4391	4.5814	5.2483	4.8397	3.1357
H3	1.0969	1.7901		2.1003	2.2290	2.3977	3.0365	3.0821	4.0791	4.2873	4.7868	5.0618	4.3693	2.9999
O4	1.4982	2.0987	2.1003		2.4552	3.2737	3.1441	2.3220	3.3580	2.4606	2.7349	3.3949	2.7450	1.4244
C5	1.5676	2.2464	2.2290	2.4552		1.0987	1.1007	1.5330	2.3245	3.8635	4.4077	4.2679	4.4315	2.3738
H6	2.2190	2.9410	2.3977	3.2737	1.0987		1.7701	2.2044	2.7242	4.6141	5.3019	4.9291	5.0463	3.1732
H7	2.2259	2.4254	3.0365	3.1441	1.1007	1.7701		2.1930	2.7534	4.5049	4.8727	4.8459	5.2270	3.0809
C8	2.4095	3.2380	3.0821	2.3220	1.5330	2.2044	2.1930		1.0835	2.6187	3.3109	2.8055	3.3149	1.3558
H9	3.4627	4.2619	4.0791	3.3580	2.3245	2.7242	2.7534	1.0835		3.0039	3.7476	2.7727	3.7550	2.1686
C10	3.7434	4.4391	4.2873	2.4606	3.8635	4.6141	4.5049	2.6187	3.0039		1.0982	1.0950	1.0981	1.5047
H11	4.1194	4.5814	4.7868	2.7349	4.4077	5.3019	4.8727	3.3109	3.7476	1.0982		1.7840	1.7694	2.1505
H12	4.4997	5.2483	5.0618	3.3949	4.2679	4.9291	4.8459	2.8055	2.7727	1.0950	1.7840		1.7845	2.1499
H13	4.0784	4.8397	4.3693	2.7450	4.4315	5.0463	5.2270	3.3149	3.7550	1.0981	1.7694	1.7845		2.1523
C14	2.3508	3.1357	2.9999	1.4244	2.3738	3.1732	3.0809	1.3558	2.1686	1.5047	2.1505	2.1499	2.1523

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C14	107.071	C1	C5	H6	111.449
C1	C5	H7	111.871	C1	C5	C8	101.986
H2	C1	H3	109.589	H2	C1	O4	107.087
H2	C1	C5	113.944	H3	C1	O4	107.052
H3	C1	C5	112.355	O4	C1	C5	106.396
O4	C14	C8	113.251	O4	C14	C10	114.264
C5	C8	H9	124.452	C5	C8	C14	110.367
H6	C5	H7	107.181	H6	C5	C8	112.734
H7	C5	C8	111.693	C8	C14	C10	132.481
H9	C8	C14	125.137	H11	C10	H12	108.866
H11	C10	H13	107.344	H11	C10	C14	110.446
H12	C10	H13	108.919	H12	C10	C14	110.588
H13	C10	C14	110.594

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	-0.135
2	H	0.152
3	H	0.149
4	O	-0.256
5	C	-0.372
6	H	0.144
7	H	0.146
8	C	-0.131
9	H	0.183
10	C	-0.653
11	H	0.171
12	H	0.166
13	H	0.170
14	C	0.265

	x	y	z	Total
	-0.652	1.142	0.111	1.320
CHELPG
AIM
ESP

	x	y	z
x	10.533	-0.642	0.001
y	-0.642	9.109	0.001
z	0.001	0.001	6.423

<r²>	133.937
(<r²>)^1/2	11.573

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-)