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	hartrees
Energy at 0K	-269.714706
Energy at 298.15K	-269.723975
HF Energy	-268.845071
Nuclear repulsion energy	238.247306

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3331	3119	2.88
2	A	3246	3040	11.46
3	A	3220	3016	32.76
4	A	3218	3014	11.28
5	A	3183	2980	23.27
6	A	3132	2933	16.31
7	A	3123	2925	47.75
8	A	3115	2917	40.22
9	A	1756	1645	32.57
10	A	1571	1471	0.23
11	A	1550	1452	0.45
12	A	1550	1451	4.03
13	A	1530	1433	5.96
14	A	1465	1372	14.93
15	A	1435	1343	7.57
16	A	1366	1279	11.89
17	A	1303	1221	35.05
18	A	1284	1202	17.39
19	A	1240	1161	20.63
20	A	1230	1152	19.23
21	A	1113	1042	0.34
22	A	1088	1019	2.80
23	A	1064	997	42.13
24	A	1057	990	5.06
25	A	994	931	15.72
26	A	972	910	11.51
27	A	930	871	22.34
28	A	886	830	9.89
29	A	736	689	25.66
30	A	679	636	0.50
31	A	636	596	1.66
32	A	545	510	2.97
33	A	334	313	2.07
34	A	229	215	4.43
35	A	176	165	4.64
36	A	162	152	0.99

Atom	x (Å)	y (Å)	z (Å)
C1	-1.350	-0.808	0.132
H2	-1.943	-1.445	-0.519
H3	-1.554	-1.064	1.175
O4	0.048	-1.095	-0.127
C5	-1.534	0.698	-0.103
H6	-2.238	1.125	0.611
H7	-1.910	0.913	-1.107
C8	-0.115	1.174	0.071
H9	0.201	2.202	0.130
C10	2.188	0.007	0.013
H11	2.536	-0.469	-0.904
H12	2.640	0.992	0.094
H13	2.516	-0.608	0.850
C14	0.705	0.115	-0.000

	C1	H2	H3	O4	C5	H6	H7	C8	H9	C10	H11	H12	H13	C14
C1		1.0876	1.0930	1.4506	1.5347	2.1804	2.1937	2.3353	3.3858	3.6319	4.0359	4.3770	3.9374	2.2567
H2	1.0876		1.7796	2.0600	2.2209	2.8231	2.4312	3.2479	4.2806	4.4109	4.6008	5.2271	4.7397	3.1174
H3	1.0930	1.7796		2.0645	2.1764	2.3618	3.0408	2.8801	3.8519	4.0612	4.6262	4.7938	4.1084	2.8062
O4	1.4506	2.0600	2.0645		2.3909	3.2711	2.9711	2.2829	3.3102	2.4102	2.6804	3.3346	2.6986	1.3821
C5	1.5347	2.2209	2.1764	2.3909		1.0903	1.0939	1.5064	2.3084	3.7870	4.3090	4.1889	4.3611	2.3163
H6	2.1804	2.8231	2.3618	3.2711	1.0903		1.7624	2.1911	2.7098	4.6042	5.2565	4.9074	5.0665	3.1719
H7	2.1937	2.4312	3.0408	2.9711	1.0939	1.7624		2.1623	2.7656	4.3434	4.6601	4.7062	5.0732	2.9499
C8	2.3353	3.2479	2.8801	2.2829	1.5064	2.1911	2.1623		1.0775	2.5827	3.2678	2.7614	3.2726	1.3419
H9	3.3858	4.2806	3.8519	3.3102	2.3084	2.7098	2.7656	1.0775		2.9630	3.6950	2.7225	3.7115	2.1513
C10	3.6319	4.4109	4.0612	2.4102	3.7870	4.6042	4.3434	2.5827	2.9630		1.0898	1.0874	1.0895	1.4862
H11	4.0359	4.6008	4.6262	2.6804	4.3090	5.2565	4.6601	3.2678	3.6950	1.0898		1.7722	1.7596	2.1231
H12	4.3770	5.2271	4.7938	3.3346	4.1889	4.9074	4.7062	2.7614	2.7225	1.0874	1.7722		1.7741	2.1262
H13	3.9374	4.7397	4.1084	2.6986	4.3611	5.0665	5.0732	3.2726	3.7115	1.0895	1.7596	1.7741		2.1275
C14	2.2567	3.1174	2.8062	1.3821	2.3163	3.1719	2.9499	1.3419	2.1513	1.4862	2.1231	2.1262	2.1275

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C14	105.596	C1	C5	H6	111.202
C1	C5	H7	112.048	C1	C5	C8	100.333
H2	C1	H3	109.393	H2	C1	O4	107.649
H2	C1	C5	114.692	H3	C1	O4	107.681
H3	C1	C5	110.716	O4	C1	C5	106.400
O4	C14	C8	113.867	O4	C14	C10	114.287
C5	C8	H9	125.790	C5	C8	C14	108.689
H6	C5	H7	107.588	H6	C5	C8	114.138
H7	C5	C8	111.533	C8	C14	C10	131.840
H9	C8	C14	125.186	H11	C10	H12	108.972
H11	C10	H13	107.691	H11	C10	C14	110.059
H12	C10	H13	109.174	H12	C10	C14	110.456
H13	C10	C14	110.428

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

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

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: MP2/6-31G**

States and conformations

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