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	hartrees
Energy at 0K	-270.243501
Energy at 298.15K
HF Energy	-269.964367
Nuclear repulsion energy	237.818137

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3282	3114	4.26
2	A	3183	3019	14.18
3	A	3162	3000	38.57
4	A	3146	2985	13.93
5	A	3112	2953	40.24
6	A	3084	2926	19.53
7	A	3084	2925	43.08
8	A	3058	2901	49.59
9	A	1753	1663	46.44
10	A	1568	1488	0.14
11	A	1547	1467	0.12
12	A	1540	1461	4.93
13	A	1521	1443	6.91
14	A	1463	1388	13.46
15	A	1432	1359	9.09
16	A	1355	1286	10.86
17	A	1298	1231	41.19
18	A	1277	1211	10.00
19	A	1235	1171	14.70
20	A	1225	1162	32.72
21	A	1109	1052	0.49
22	A	1088	1032	3.47
23	A	1059	1005	26.39
24	A	1041	988	21.35
25	A	994	943	21.94
26	A	954	905	16.24
27	A	923	876	21.25
28	A	873	829	6.39
29	A	735	697	24.60
30	A	700	664	1.46
31	A	636	604	1.25
32	A	553	525	2.63
33	A	334	317	2.12
34	A	226	214	5.88
35	A	174	166	2.40
36	A	122	116	1.80

Atom	x (Å)	y (Å)	z (Å)
C1	-1.358	-0.824	0.060
H2	-1.873	-1.376	-0.729
H3	-1.697	-1.205	1.028
O4	0.054	-1.094	-0.058
C5	-1.540	0.713	-0.047
H6	-2.165	1.102	0.764
H7	-2.018	1.009	-0.989
C8	-0.104	1.177	0.033
H9	0.212	2.210	0.065
C10	2.193	0.005	0.006
H11	2.541	-0.511	-0.894
H12	2.648	0.996	0.043
H13	2.532	-0.575	0.869
C14	0.706	0.112	0.000

	C1	H2	H3	O4	C5	H6	H7	C8	H9	C10	H11	H12	H13	C14
C1		1.0921	1.0950	1.4427	1.5515	2.2035	2.2119	2.3613	3.4163	3.6467	4.0261	4.3998	3.9809	2.2667
H2	1.0921		1.7744	2.0603	2.2231	2.9077	2.4033	3.1984	4.2241	4.3570	4.5015	5.1639	4.7541	3.0656
H3	1.0950	1.7744		2.0639	2.2047	2.3686	3.0122	3.0336	4.0298	4.2003	4.7051	4.9693	4.2785	2.9266
O4	1.4427	2.0603	2.0639		2.4107	3.2288	3.0958	2.2793	3.3110	2.4058	2.6875	3.3329	2.6960	1.3721
C5	1.5515	2.2231	2.2047	2.4107		1.0949	1.0969	1.5110	2.3076	3.8002	4.3447	4.1987	4.3684	2.3260
H6	2.2035	2.9077	2.3686	3.2288	1.0949		1.7618	2.1877	2.7147	4.5573	5.2440	4.8677	4.9885	3.1316
H7	2.2119	2.4033	3.0122	3.0958	1.0969	1.7618		2.1759	2.7439	4.4418	4.8070	4.7788	5.1637	3.0338
C8	2.3613	3.1984	3.0336	2.2793	1.5110	2.1877	2.1759		1.0810	2.5794	3.2727	2.7584	3.2744	1.3394
H9	3.4163	4.2241	4.0298	3.3110	2.3076	2.7147	2.7439	1.0810		2.9647	3.7083	2.7216	3.7132	2.1571
C10	3.6467	4.3570	4.2003	2.4058	3.8002	4.5573	4.4418	2.5794	2.9647		1.0943	1.0909	1.0941	1.4908
H11	4.0261	4.5015	4.7051	2.6875	4.3447	5.2440	4.8070	3.2727	3.7083	1.0943		1.7782	1.7639	2.1342
H12	4.3998	5.1639	4.9693	3.3329	4.1987	4.8677	4.7788	2.7584	2.7216	1.0909	1.7782		1.7791	2.1343
H13	3.9809	4.7541	4.2785	2.6960	4.3684	4.9885	5.1637	3.2744	3.7132	1.0941	1.7639	1.7791		2.1356
C14	2.2667	3.0656	2.9266	1.3721	2.3260	3.1316	3.0338	1.3394	2.1571	1.4908	2.1342	2.1343	2.1356

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C14	107.243	C1	C5	H6	111.578
C1	C5	H7	112.135	C1	C5	C8	100.886
H2	C1	H3	108.447	H2	C1	O4	107.942
H2	C1	C5	113.337	H3	C1	O4	108.060
H3	C1	C5	111.673	O4	C1	C5	107.189
O4	C14	C8	114.396	O4	C14	C10	114.287
C5	C8	H9	124.992	C5	C8	C14	109.230
H6	C5	H7	106.993	H6	C5	C8	113.212
H7	C5	C8	112.118	C8	C14	C10	131.315
H9	C8	C14	125.722	H11	C10	H12	108.924
H11	C10	H13	107.420	H11	C10	C14	110.360
H12	C10	H13	109.014	H12	C10	C14	110.568
H13	C10	C14	110.480

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

using model chemistry: B2PLYP=FULLultrafine/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: B2PLYP=FULLultrafine/6-31G*

States and conformations

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