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	hartrees
Energy at 0K	-313.059427
Energy at 298.15K
HF Energy	-313.059427
Nuclear repulsion energy	118.711527

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	1952	1894	462.41	10.79	0.16	0.27
2	A₁	945	917	59.13	8.38	0.06	0.11
3	A₁	562	546	4.80	0.99	0.74	0.85
4	B₁	766	744	34.34	0.45	0.75	0.86
5	B₂	1203	1167	418.04	1.53	0.75	0.86
6	B₂	602	584	5.86	1.82	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	1.324
C2	0.000	0.147
F3	1.071	-0.637
F4	-1.071	-0.637

	O1	C2	F3	F4
O1		1.1775	2.2352	2.2352
C2	1.1775		1.3277	1.3277
F3	2.2352	1.3277		2.1428
F4	2.2352	1.3277	2.1428

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	F3	126.201		O1	C2	F4	126.201
F3	C2	F4	107.597

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

using model chemistry: B3LYP/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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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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Number	Element	Mulliken
1	O	-0.274
2	C	0.904
3	F	-0.315
4	F	-0.315

<r²>	55.410
(<r²>)^1/2	7.444

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

using model chemistry: B3LYP/aug-cc-pVDZ

States and conformations

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