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	hartrees
Energy at 0K	-269.677959
Energy at 298.15K	-269.687222
HF Energy	-268.831881
Nuclear repulsion energy	238.212526

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3299	3108	2.62
2	A	3218	3032	10.18
3	A	3197	3012	30.04
4	A	3190	3006	9.37
5	A	3155	2973	22.48
6	A	3110	2930	14.20
7	A	3104	2924	44.05
8	A	3091	2912	36.11
9	A	1758	1657	33.13
10	A	1576	1485	0.17
11	A	1556	1466	0.45
12	A	1554	1464	5.84
13	A	1534	1445	7.60
14	A	1471	1386	15.95
15	A	1437	1354	8.05
16	A	1368	1289	9.91
17	A	1308	1232	42.37
18	A	1287	1212	14.55
19	A	1243	1171	15.55
20	A	1234	1163	23.62
21	A	1118	1053	0.42
22	A	1093	1030	3.30
23	A	1067	1005	39.86
24	A	1061	999	7.91
25	A	997	939	16.40
26	A	974	918	11.42
27	A	932	878	22.29
28	A	889	838	10.14
29	A	733	691	27.66
30	A	682	642	0.97
31	A	638	601	1.64
32	A	549	517	3.04
33	A	336	317	2.33
34	A	231	217	4.91
35	A	177	167	4.77
36	A	162	153	1.10

Atom	x (Å)	y (Å)	z (Å)
C1	-1.349	-0.808	0.132
H2	-1.942	-1.450	-0.522
H3	-1.552	-1.068	1.178
O4	0.049	-1.093	-0.127
C5	-1.534	0.697	-0.102
H6	-2.240	1.127	0.614
H7	-1.912	0.914	-1.110
C8	-0.116	1.173	0.071
H9	0.199	2.206	0.130
C10	2.186	0.007	0.013
H11	2.537	-0.474	-0.904
H12	2.641	0.996	0.091
H13	2.518	-0.607	0.856
C14	0.705	0.115	-0.001

	C1	H2	H3	O4	C5	H6	H7	C8	H9	C10	H11	H12	H13	C14
C1		1.0912	1.0964	1.4503	1.5342	2.1846	2.1969	2.3341	3.3885	3.6301	4.0358	4.3795	3.9387	2.2561
H2	1.0912		1.7850	2.0610	2.2246	2.8317	2.4362	3.2499	4.2864	4.4103	4.6000	5.2310	4.7427	3.1189
H3	1.0964	1.7850		2.0658	2.1801	2.3686	3.0483	2.8824	3.8577	4.0605	4.6271	4.7986	4.1083	2.8078
O4	1.4503	2.0610	2.0658		2.3896	3.2744	2.9734	2.2804	3.3126	2.4077	2.6790	3.3364	2.7006	1.3808
C5	1.5342	2.2246	2.1801	2.3896		1.0943	1.0979	1.5058	2.3099	3.7855	4.3113	4.1905	4.3625	2.3155
H6	2.1846	2.8317	2.3686	3.2744	1.0943		1.7678	2.1933	2.7107	4.6057	5.2625	4.9115	5.0699	3.1745
H7	2.1969	2.4362	3.0483	2.9734	1.0979	1.7678		2.1646	2.7681	4.3450	4.6649	4.7095	5.0789	2.9524
C8	2.3341	3.2499	2.8824	2.2804	1.5058	2.1933	2.1646		1.0820	2.5812	3.2712	2.7630	3.2738	1.3405
H9	3.3885	4.2864	3.8577	3.3126	2.3099	2.7107	2.7681	1.0820		2.9665	3.7042	2.7261	3.7169	2.1551
C10	3.6301	4.4103	4.0605	2.4077	3.7855	4.6057	4.3450	2.5812	2.9665		1.0939	1.0915	1.0936	1.4853
H11	4.0358	4.6000	4.6271	2.6790	4.3113	5.2625	4.6649	3.2712	3.7042	1.0939		1.7785	1.7650	2.1261
H12	4.3795	5.2310	4.7986	3.3364	4.1905	4.9115	4.7095	2.7630	2.7261	1.0915	1.7785		1.7804	2.1291
H13	3.9387	4.7427	4.1083	2.7006	4.3625	5.0699	5.0789	3.2738	3.7169	1.0936	1.7650	1.7804		2.1306
C14	2.2561	3.1189	2.8078	1.3808	2.3155	3.1745	2.9524	1.3405	2.1551	1.4853	2.1261	2.1291	2.1306

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C14	105.642	C1	C5	H6	111.327
C1	C5	H7	112.100	C1	C5	C8	100.309
H2	C1	H3	109.368	H2	C1	O4	107.538
H2	C1	C5	114.800	H3	C1	O4	107.608
H3	C1	C5	110.842	O4	C1	C5	106.356
O4	C14	C8	113.844	O4	C14	C10	114.246
C5	C8	H9	125.611	C5	C8	C14	108.745
H6	C5	H7	107.490	H6	C5	C8	114.104
H7	C5	C8	111.523	C8	C14	C10	131.905
H9	C8	C14	125.314	H11	C10	H12	108.943
H11	C10	H13	107.585	H11	C10	C14	110.119
H12	C10	H13	109.134	H12	C10	C14	110.500
H13	C10	C14	110.494

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

using model chemistry: MP2=FULL/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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All results from a given calculation for C5H8O (Furan, 2,3-dihydro-5-methyl-)

using model chemistry: MP2=FULL/6-31G*

States and conformations

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