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	hartrees
Energy at 0K	-269.295174
Energy at 298.15K	-269.304036
HF Energy	-268.747868
Nuclear repulsion energy	231.390772

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3250	3130	6.10
2	A	3157	3041	44.11
3	A	3144	3028	22.66
4	A	3126	3011	19.97
5	A	3096	2982	22.74
6	A	3078	2964	62.31
7	A	3043	2930	48.63
8	A	3031	2919	26.13
9	A	1685	1623	27.28
10	A	1551	1494	1.22
11	A	1537	1480	11.05
12	A	1535	1478	1.57
13	A	1515	1459	10.11
14	A	1465	1411	11.67
15	A	1378	1327	4.16
16	A	1342	1293	8.85
17	A	1274	1227	25.82
18	A	1250	1204	1.55
19	A	1195	1151	53.10
20	A	1178	1134	3.26
21	A	1109	1068	2.20
22	A	1091	1051	1.98
23	A	1058	1019	5.29
24	A	1007	970	8.97
25	A	921	887	55.75
26	A	913	879	14.77
27	A	859	827	5.36
28	A	832	801	25.14
29	A	724	698	39.80
30	A	700	674	3.24
31	A	610	588	2.03
32	A	523	504	1.21
33	A	321	309	3.25
34	A	218	209	11.61
35	A	155	149	1.75
36	A	42	40	3.71

Atom	x (Å)	y (Å)	z (Å)
C1	-1.435	-0.831	0.037
H2	-1.900	-1.348	-0.816
H3	-1.797	-1.252	0.989
O4	0.054	-1.140	-0.036
C5	-1.571	0.742	-0.027
H6	-2.153	1.124	0.830
H7	-2.072	1.066	-0.958
C8	-0.097	1.201	0.017
H9	0.221	2.243	0.037
C10	2.253	-0.003	0.005
H11	2.593	-0.545	-0.895
H12	2.717	0.998	0.019
H13	2.588	-0.568	0.891
C14	0.745	0.124	0.001

	C1	H2	H3	O4	C5	H6	H7	C8	H9	C10	H11	H12	H13	C14
C1		1.1005	1.1019	1.5227	1.5794	2.2287	2.2342	2.4333	3.4914	3.7804	4.1441	4.5372	4.1215	2.3807
H2	1.1005		1.8104	2.1146	2.2574	2.9810	2.4238	3.2317	4.2567	4.4423	4.5647	5.2458	4.8650	3.1357
H3	1.1019	1.8104		2.1182	2.2490	2.4083	3.0394	3.1389	4.1463	4.3508	4.8282	5.1357	4.4386	3.0547
O4	1.5227	2.1146	2.1182		2.4858	3.2783	3.1992	2.3461	3.3870	2.4760	2.7451	3.4151	2.7581	1.4407
C5	1.5794	2.2574	2.2490	2.4858		1.1050	1.1057	1.5449	2.3389	3.8960	4.4434	4.2960	4.4561	2.3975
H6	2.2287	2.9810	2.4083	3.2783	1.1050		1.7911	2.2129	2.7422	4.6225	5.3184	4.9391	5.0346	3.1766
H7	2.2342	2.4238	3.0394	3.1992	1.1057	1.7911		2.2071	2.7633	4.5582	4.9356	4.8884	5.2733	3.1217
C8	2.4333	3.2317	3.1389	2.3461	1.5449	2.2129	2.2071		1.0891	2.6402	3.3336	2.8212	3.3322	1.3674
H9	3.4914	4.2567	4.1463	3.3870	2.3389	2.7422	2.7633	1.0891		3.0280	3.7763	2.7889	3.7724	2.1827
C10	3.7804	4.4423	4.3508	2.4760	3.8960	4.6225	4.5582	2.6402	3.0280		1.1039	1.1026	1.1038	1.5131
H11	4.1441	4.5647	4.8282	2.7451	4.4434	5.3184	4.9356	3.3336	3.7763	1.1039		1.7971	1.7862	2.1591
H12	4.5372	5.2458	5.1357	3.4151	4.2960	4.9391	4.8884	2.8212	2.7889	1.1026	1.7971		1.7974	2.1567
H13	4.1215	4.8650	4.4386	2.7581	4.4561	5.0346	5.2733	3.3322	3.7724	1.1038	1.7862	1.7974		2.1605
C14	2.3807	3.1357	3.0547	1.4407	2.3975	3.1766	3.1217	1.3674	2.1827	1.5131	2.1591	2.1567	2.1605

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C14	106.874	C1	C5	H6	111.018
C1	C5	H7	111.404	C1	C5	C8	102.299
H2	C1	H3	110.571	H2	C1	O4	106.319
H2	C1	C5	113.580	H3	C1	O4	106.508
H3	C1	C5	112.806	O4	C1	C5	106.500
O4	C14	C8	113.308	O4	C14	C10	113.889
C5	C8	H9	124.320	C5	C8	C14	110.668
H6	C5	H7	108.234	H6	C5	C8	112.183
H7	C5	C8	111.679	C8	C14	C10	132.801
H9	C8	C14	125.000	H11	C10	H12	109.068
H11	C10	H13	108.011	H11	C10	C14	110.205
H12	C10	H13	109.096	H12	C10	C14	110.096
H13	C10	C14	110.322

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

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

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