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	hartrees
Energy at 0K	-268.771632
Energy at 298.15K	-268.780633
HF Energy	-268.771632
Nuclear repulsion energy	235.876219

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3295	3174	2.24
2	A	3179	3062	7.89
3	A	3161	3045	32.38
4	A	3132	3017	8.67
5	A	3106	2992	17.01
6	A	3106	2992	33.69
7	A	3074	2962	14.83
8	A	3072	2959	33.11
9	A	1752	1688	43.08
10	A	1570	1512	0.51
11	A	1549	1492	11.52
12	A	1543	1486	0.46
13	A	1533	1477	10.42
14	A	1463	1410	15.20
15	A	1402	1351	8.52
16	A	1334	1285	14.25
17	A	1293	1246	39.68
18	A	1284	1237	0.50
19	A	1218	1173	47.67
20	A	1217	1173	1.73
21	A	1119	1078	10.21
22	A	1084	1044	0.51
23	A	1068	1029	9.09
24	A	1016	979	8.45
25	A	986	950	50.53
26	A	922	889	19.31
27	A	892	859	17.25
28	A	847	816	0.90
29	A	772	743	34.59
30	A	740	713	0.81
31	A	638	615	1.47
32	A	554	534	1.03
33	A	324	312	2.72
34	A	224	216	11.14
35	A	154	148	1.71
36	A	31	30	1.92

Atom	x (Å)	y (Å)	z (Å)
C1	-1.362	-0.759	0.244
H2	-2.157	-1.425	-0.096
H3	-1.297	-0.784	1.339
O4	-0.029	-1.102	-0.256
C5	-1.491	0.728	-0.147
H6	-2.241	1.206	0.486
H7	-1.744	0.837	-1.211
C8	-0.078	1.136	0.061
H9	0.273	2.120	0.204
C10	2.176	-0.003	0.056
H11	2.614	-0.399	-0.867
H12	2.573	1.000	0.228
H13	2.492	-0.653	0.879
C14	0.708	0.049	-0.035

	C1	H2	H3	O4	C5	H6	H7	C8	H9	C10	H11	H12	H13	C14
C1		1.0915	1.0969	1.4645	1.5423	2.1660	2.1928	2.2964	3.3108	3.6233	4.1442	4.3100	3.9080	2.2395
H2	1.0915		1.7911	2.1581	2.2542	2.6963	2.5552	3.3027	4.3083	4.5633	4.9405	5.3249	4.8128	3.2224
H3	1.0969	1.7911		2.0616	2.1287	2.3627	3.0545	2.6091	3.4911	3.7842	4.5067	4.4036	3.8193	2.5692
O4	1.4645	2.1581	2.0616		2.3445	3.2817	2.7589	2.2610	3.2687	2.4840	2.8025	3.3796	2.8014	1.3844
C5	1.5423	2.2542	2.1287	2.3445		1.0916	1.0996	1.4857	2.2741	3.7449	4.3172	4.0900	4.3389	2.3039
H6	2.1660	2.6963	2.3627	3.2817	1.0916		1.8066	2.2056	2.6893	4.5999	5.2894	4.8250	5.1007	3.2103
H7	2.1928	2.5552	3.0545	2.7589	1.0996	1.8066		2.1180	2.7782	4.2049	4.5428	4.5534	4.9535	2.8313
C8	2.2964	3.3027	2.6091	2.2610	1.4857	2.2056	2.1180		1.0542	2.5255	3.2347	2.6592	3.2367	1.3448
H9	3.3108	4.3083	3.4911	3.2687	2.2741	2.6893	2.7782	1.0542		2.8553	3.6022	2.5586	3.6159	2.1299
C10	3.6233	4.5633	3.7842	2.4840	3.7449	4.5999	4.2049	2.5255	2.8553		1.0961	1.0916	1.0956	1.4723
H11	4.1442	4.9405	4.5067	2.8025	4.3172	5.2894	4.5428	3.2347	3.6022	1.0961		1.7771	1.7692	2.1275
H12	4.3100	5.3249	4.4036	3.3796	4.0900	4.8250	4.5534	2.6592	2.5586	1.0916	1.7771		1.7784	2.1097
H13	3.9080	4.8128	3.8193	2.8014	4.3389	5.1007	4.9535	3.2367	3.6159	1.0956	1.7692	1.7784		2.1244
C14	2.2395	3.2224	2.5692	1.3844	2.3039	3.2103	2.8313	1.3448	2.1299	1.4723	2.1275	2.1097	2.1244

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C14	103.608	C1	C5	H6	109.449
C1	C5	H7	111.086	C1	C5	C8	98.629
H2	C1	H3	109.863	H2	C1	O4	114.409
H2	C1	C5	116.667	H3	C1	O4	106.313
H3	C1	C5	106.298	O4	C1	C5	102.440
O4	C14	C8	111.870	O4	C14	C10	120.781
C5	C8	H9	126.269	C5	C8	C14	108.872
H6	C5	H7	111.064	H6	C5	C8	116.873
H7	C5	C8	109.110	C8	C14	C10	127.346
H9	C8	C14	124.766	H11	C10	H12	108.643
H11	C10	H13	107.652	H11	C10	C14	111.017
H12	C10	H13	108.801	H12	C10	C14	109.859
H13	C10	C14	110.796

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

using model chemistry: HSEh1PBE/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	C	-0.198
2	H	0.231
3	H	0.231
4	O	-0.518
5	C	-0.494
6	H	0.231
7	H	0.231
8	C	-0.285
9	H	0.204
10	C	-0.686
11	H	0.245
12	H	0.228
13	H	0.245
14	C	0.335

	x	y	z	Total
	-0.513	0.856	-0.001	0.998
CHELPG
AIM
ESP

	x	y	z
x	9.064	-0.495	0.000
y	-0.495	7.772	-0.000
z	0.000	-0.000	5.097

<r²>	158.144
(<r²>)^1/2	12.576

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

using model chemistry: HSEh1PBE/3-21G

States and conformations

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