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	hartrees
Energy at 0K	-268.935326
Energy at 298.15K	-268.944837
HF Energy	-268.935326
Nuclear repulsion energy	240.099675

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3378	3055	4.85
2	A	3256	2945	21.25
3	A	3245	2935	52.57
4	A	3219	2912	18.31
5	A	3199	2894	79.18
6	A	3180	2876	25.34
7	A	3169	2867	27.43
8	A	3155	2854	59.51
9	A	1866	1688	90.71
10	A	1654	1496	0.55
11	A	1627	1472	0.56
12	A	1604	1451	4.24
13	A	1590	1438	6.61
14	A	1548	1400	28.64
15	A	1530	1384	4.43
16	A	1448	1310	9.75
17	A	1385	1253	53.45
18	A	1364	1234	4.87
19	A	1318	1192	9.03
20	A	1306	1182	68.82
21	A	1178	1065	1.28
22	A	1164	1053	5.06
23	A	1153	1043	60.65
24	A	1101	996	7.48
25	A	1060	958	13.53
26	A	997	902	43.82
27	A	980	887	10.74
28	A	921	833	5.47
29	A	837	757	36.72
30	A	769	695	0.71
31	A	669	605	0.95
32	A	623	564	0.24
33	A	359	325	3.07
34	A	249	225	6.81
35	A	201	182	3.00
36	A	99	90	1.60

Atom	x (Å)	y (Å)	z (Å)
C1	-1.352	-0.813	0.072
H2	-1.881	-1.373	-0.685
H3	-1.659	-1.170	1.047
O4	0.038	-1.072	-0.073
C5	-1.526	0.712	-0.053
H6	-2.150	1.106	0.740
H7	-1.984	0.995	-0.995
C8	-0.090	1.162	0.034
H9	0.241	2.178	0.076
C10	2.181	-0.006	0.009
H11	2.521	-0.510	-0.888
H12	2.637	0.972	0.059
H13	2.505	-0.593	0.859
C14	0.698	0.107	-0.001

	C1	H2	H3	O4	C5	H6	H7	C8	H9	C10	H11	H12	H13	C14
C1		1.0796	1.0826	1.4214	1.5397	2.1833	2.1923	2.3443	3.3886	3.6247	4.0015	4.3708	3.9435	2.2488
H2	1.0796		1.7577	2.0365	2.2069	2.8719	2.3900	3.1857	4.2053	4.3414	4.4898	5.1445	4.7153	3.0514
H3	1.0826	1.7577		2.0358	2.1835	2.3488	2.9935	2.9878	3.9701	4.1448	4.6531	4.9017	4.2089	2.8788
O4	1.4214	2.0365	2.0358		2.3721	3.1924	3.0347	2.2396	3.2592	2.3949	2.6727	3.3095	2.6810	1.3534
C5	1.5397	2.2069	2.1835	2.3721		1.0830	1.0853	1.5077	2.2993	3.7759	4.3085	4.1728	4.3344	2.3054
H6	2.1833	2.8719	2.3488	3.1924	1.0830		1.7462	2.1786	2.7027	4.5303	5.2033	4.8371	4.9573	3.1077
H7	2.1923	2.3900	2.9935	3.0347	1.0853	1.7462		2.1622	2.7374	4.3991	4.7503	4.7397	5.1104	2.9950
C8	2.3443	3.1857	2.9878	2.2396	1.5077	2.1786	2.1622		1.0692	2.5528	3.2336	2.7334	3.2396	1.3165
H9	3.3886	4.2053	3.9701	3.2592	2.2993	2.7027	2.7374	1.0692		2.9212	3.6534	2.6824	3.6635	2.1215
C10	3.6247	4.3414	4.1448	2.3949	3.7759	4.5303	4.3991	2.5528	2.9212		1.0838	1.0803	1.0836	1.4868
H11	4.0015	4.4898	4.6531	2.6727	4.3085	5.2033	4.7503	3.2336	3.6534	1.0838		1.7626	1.7495	2.1187
H12	4.3708	5.1445	4.9017	3.3095	4.1728	4.8371	4.7397	2.7334	2.6824	1.0803	1.7626		1.7634	2.1240
H13	3.9435	4.7153	4.2089	2.6810	4.3344	4.9573	5.1104	3.2396	3.6635	1.0836	1.7495	1.7634		2.1206
C14	2.2488	3.0514	2.8788	1.3534	2.3054	3.1077	2.9950	1.3165	2.1215	1.4868	2.1187	2.1240	2.1206

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C14	108.249	C1	C5	H6	111.510
C1	C5	H7	112.105	C1	C5	C8	100.570
H2	C1	H3	108.760	H2	C1	O4	108.251
H2	C1	C5	113.659	H3	C1	O4	108.013
H3	C1	C5	111.549	O4	C1	C5	106.396
O4	C14	C8	114.029	O4	C14	C10	114.878
C5	C8	H9	125.464	C5	C8	C14	109.242
H6	C5	H7	107.283	H6	C5	C8	113.456
H7	C5	C8	111.960	C8	C14	C10	131.088
H9	C8	C14	125.248	H11	C10	H12	109.075
H11	C10	H13	107.652	H11	C10	C14	110.032
H12	C10	H13	109.156	H12	C10	C14	110.667
H13	C10	C14	110.195

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

using model chemistry: HF/daug-cc-pVTZ

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	-0.649
2	H	0.542
3	H	0.261
4	O	-0.538
5	C	-0.536
6	H	0.378
7	H	0.377
8	C	-1.196
9	H	0.707
10	C	-0.936
11	H	0.179
12	H	0.347
13	H	0.370
14	C	0.694

	x	y	z	Total
	-0.410	0.718	0.103	0.833
CHELPG
AIM
ESP

	x	y	z
x	10.304	-0.616	-0.006
y	-0.616	9.025	-0.007
z	-0.006	-0.007	7.047

<r²>	154.388
(<r²>)^1/2	12.425

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

using model chemistry: HF/daug-cc-pVTZ

States and conformations

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