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	hartrees
Energy at 0K	-270.480025
Energy at 298.15K	-270.489188
Nuclear repulsion energy	238.575116

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3288	3118	4.16
2	A	3187	3022	12.66
3	A	3154	2991	39.63
4	A	3142	2980	12.00
5	A	3106	2946	40.47
6	A	3079	2920	22.33
7	A	3078	2919	42.86
8	A	3051	2893	52.80
9	A	1772	1681	57.49
10	A	1554	1474	0.23
11	A	1530	1450	0.30
12	A	1521	1442	4.76
13	A	1503	1425	8.30
14	A	1452	1377	28.30
15	A	1430	1356	5.36
16	A	1350	1280	9.98
17	A	1294	1227	62.10
18	A	1277	1211	5.29
19	A	1235	1171	29.70
20	A	1227	1164	7.23
21	A	1097	1040	0.64
22	A	1079	1023	10.16
23	A	1072	1016	47.02
24	A	1046	992	5.05
25	A	1006	954	13.04
26	A	958	909	17.41
27	A	934	886	20.77
28	A	869	824	2.86
29	A	741	703	26.73
30	A	707	670	1.53
31	A	642	609	1.11
32	A	563	533	1.92
33	A	335	318	2.32
34	A	226	215	6.79
35	A	173	164	2.24
36	A	108	102	1.61

Atom	x (Å)	y (Å)	z (Å)
C1	-1.351	-0.815	0.085
H2	-1.899	-1.405	-0.653
H3	-1.638	-1.155	1.087
O4	0.049	-1.089	-0.085
C5	-1.533	0.707	-0.066
H6	-2.190	1.111	0.711
H7	-1.977	0.980	-1.033
C8	-0.106	1.171	0.046
H9	0.214	2.203	0.090
C10	2.184	0.005	0.009
H11	2.537	-0.497	-0.898
H12	2.642	0.994	0.063
H13	2.525	-0.591	0.862
C14	0.703	0.110	0.001

	C1	H2	H3	O4	C5	H6	H7	C8	H9	C10	H11	H12	H13	C14
C1		1.0916	1.0958	1.4373	1.5403	2.1921	2.2053	2.3448	3.3994	3.6305	4.0229	4.3844	3.9600	2.2549
H2	1.0916		1.7768	2.0536	2.2218	2.8765	2.4156	3.2150	4.2455	4.3699	4.5336	5.1851	4.7462	3.0807
H3	1.0958	1.7768		2.0551	2.1926	2.3624	3.0276	2.9733	3.9617	4.1373	4.6688	4.8976	4.2072	2.8740
O4	1.4373	2.0536	2.0551		2.3931	3.2381	3.0467	2.2687	3.2997	2.4006	2.6828	3.3290	2.6968	1.3680
C5	1.5403	2.2218	2.1926	2.3931		1.0952	1.0985	1.5047	2.3045	3.7834	4.3244	4.1868	4.3602	2.3152
H6	2.1921	2.8765	2.3624	3.2381	1.0952		1.7623	2.1884	2.7119	4.5662	5.2454	4.8768	5.0150	3.1427
H7	2.2053	2.4156	3.0276	3.0467	1.0985	1.7623		2.1685	2.7485	4.3988	4.7506	4.7473	5.1307	3.0013
C8	2.3448	3.2150	2.9733	2.2687	1.5047	2.1884	2.1685		1.0807	2.5701	3.2644	2.7538	3.2697	1.3350
H9	3.3994	4.2455	3.9617	3.2997	2.3045	2.7119	2.7485	1.0807		2.9526	3.6959	2.7128	3.7069	2.1508
C10	3.6305	4.3699	4.1373	2.4006	3.7834	4.5662	4.3988	2.5701	2.9526		1.0950	1.0911	1.0948	1.4848
H11	4.0229	4.5336	4.6688	2.6828	4.3244	5.2454	4.7506	3.2644	3.6959	1.0950		1.7772	1.7623	2.1303
H12	4.3844	5.1851	4.8976	3.3290	4.1868	4.8768	4.7473	2.7538	2.7128	1.0911	1.7772		1.7785	2.1320
H13	3.9600	4.7462	4.2072	2.6968	4.3602	5.0150	5.1307	3.2697	3.7069	1.0948	1.7623	1.7785		2.1334
C14	2.2549	3.0807	2.8740	1.3680	2.3152	3.1427	3.0013	1.3350	2.1508	1.4848	2.1303	2.1320	2.1334

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C14	106.965	C1	C5	H6	111.436
C1	C5	H7	112.297	C1	C5	C8	100.710
H2	C1	H3	108.642	H2	C1	O4	107.815
H2	C1	C5	114.081	H3	C1	O4	107.685
H3	C1	C5	111.441	O4	C1	C5	106.919
O4	C14	C8	114.128	O4	C14	C10	114.534
C5	C8	H9	125.292	C5	C8	C14	109.089
H6	C5	H7	106.901	H6	C5	C8	113.714
H7	C5	C8	111.871	C8	C14	C10	131.332
H9	C8	C14	125.503	H11	C10	H12	108.776
H11	C10	H13	107.179	H11	C10	C14	110.415
H12	C10	H13	108.907	H12	C10	C14	110.790
H13	C10	C14	110.678

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

using model chemistry: mPW1PW91/6-31G*

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	0.177
3	H	0.173
4	O	-0.510
5	C	-0.388
6	H	0.177
7	H	0.178
8	C	-0.278
9	H	0.161
10	C	-0.592
11	H	0.197
12	H	0.188
13	H	0.196
14	C	0.402

	x	y	z	Total
	-0.385	0.670	0.126	0.784
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	155.109
(<r²>)^1/2	12.454

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

using model chemistry: mPW1PW91/6-31G*

States and conformations

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