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	hartrees
Energy at 0K	-230.510885
Energy at 298.15K	-230.517980
HF Energy	-229.784231
Nuclear repulsion energy	173.571945

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3256	3101	9.18
2	A₁	3034	2889	10.19
3	A₁	1725	1642	0.35
4	A₁	1585	1510	0.23
5	A₁	1437	1368	6.21
6	A₁	1148	1093	1.23
7	A₁	1021	972	8.55
8	A₁	937	892	16.51
9	A₁	762	726	7.84
10	A₂	3057	2912	0.00
11	A₂	1247	1187	0.00
12	A₂	1092	1040	0.00
13	A₂	930	885	0.00
14	A₂	375	357	0.00
15	B₁	3060	2914	107.80
16	B₁	1200	1143	2.63
17	B₁	1063	1013	19.66
18	B₁	685	653	31.39
19	B₁	71	67	8.69
20	B₂	3233	3078	3.01
21	B₂	3028	2884	130.10
22	B₂	1574	1499	4.69
23	B₂	1410	1342	0.77
24	B₂	1359	1294	0.53
25	B₂	1167	1111	104.20
26	B₂	953	907	0.40
27	B₂	818	779	2.40

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.191
C2	0.000	1.176	0.371
C3	0.000	0.667	-1.046
C4	0.000	-0.667	-1.046
C5	0.000	-1.176	0.371
H6	0.890	1.784	0.601
H7	-0.890	1.784	0.601
H8	-0.890	-1.784	0.601
H9	0.890	-1.784	0.601
H10	0.000	1.320	-1.915
H11	0.000	-1.320	-1.915

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
O1		1.4336	2.3343	2.3343	1.4336	2.0791	2.0791	2.0791	2.0791	3.3747	3.3747
C2	1.4336		1.5052	2.3248	2.3516	1.1018	1.1018	3.0991	3.0991	2.2902	3.3844
C3	2.3343	1.5052		1.3349	2.3248	2.1793	2.1793	3.0842	3.0842	1.0867	2.1692
C4	2.3343	2.3248	1.3349		1.5052	3.0842	3.0842	2.1793	2.1793	2.1692	1.0867
C5	1.4336	2.3516	2.3248	1.5052		3.0991	3.0991	1.1018	1.1018	3.3844	2.2902
H6	2.0791	1.1018	2.1793	3.0842	3.0991		1.7792	3.9870	3.5680	2.7081	4.0932
H7	2.0791	1.1018	2.1793	3.0842	3.0991	1.7792		3.5680	3.9870	2.7081	4.0932
H8	2.0791	3.0991	3.0842	2.1793	1.1018	3.9870	3.5680		1.7792	4.0932	2.7081
H9	2.0791	3.0991	3.0842	2.1793	1.1018	3.5680	3.9870	1.7792		4.0932	2.7081
H10	3.3747	2.2902	1.0867	2.1692	3.3844	2.7081	2.7081	4.0932	4.0932		2.6404
H11	3.3747	3.3844	2.1692	1.0867	2.2902	4.0932	4.0932	2.7081	2.7081	2.6404

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	105.157	O1	C2	H6	109.477
O1	C2	H7	109.477	O1	C5	C4	105.157
O1	C5	H8	109.477	O1	C5	H9	109.477
C2	O1	C5	110.208	C2	C3	C4	109.739
C2	C3	H10	123.345	C3	C2	H6	112.502
C3	C2	H7	112.502	C3	C4	C5	109.739
C3	C4	H11	126.916	C4	C3	H10	126.916
C4	C5	H8	112.502	C4	C5	H9	112.502
C5	C4	H11	123.345	H6	C2	H7	107.676
H8	C5	H9	107.676

All results from a given calculation for C₄H₆O (Furan, 2,5-dihydro-)

using model chemistry: QCISD/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 C4H6O (Furan, 2,5-dihydro-)

using model chemistry: QCISD/6-31G*

States and conformations

All results from a given calculation for C₄H₆O (Furan, 2,5-dihydro-)