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	hartrees
Energy at 0K	-312.840890
Energy at 298.15K
HF Energy	-312.598923
Nuclear repulsion energy	118.547128

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	1938	1865	445.04	11.37	0.16	0.27
2	A₁	940	904	60.36	9.33	0.06	0.11
3	A₁	564	542	5.28	1.05	0.75	0.85
4	B₁	767	738	34.06	0.46	0.75	0.86
5	B₂	1205	1160	416.14	1.62	0.75	0.86
6	B₂	601	579	5.94	1.96	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	1.328
C2	0.000	0.147
F3	1.071	-0.639
F4	-1.071	-0.639

	O1	C2	F3	F4
O1		1.1806	2.2397	2.2397
C2	1.1806		1.3289	1.3289
F3	2.2397	1.3289		2.1427
F4	2.2397	1.3289	2.1427

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	F3	126.274		O1	C2	F4	126.274
F3	C2	F4	107.451

All results from a given calculation for CF₂O (Carbonic difluoride)

using model chemistry: B2PLYP=FULLultrafine/aug-cc-pVDZ

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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HF vs MP2 Bad vib. Calc. vs exp. 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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 CF2O (Carbonic difluoride)

using model chemistry: B2PLYP=FULLultrafine/aug-cc-pVDZ

States and conformations

All results from a given calculation for CF₂O (Carbonic difluoride)