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	hartrees
Energy at 0K	-313.029849
Energy at 298.15K
HF Energy	-312.683130
Nuclear repulsion energy	119.623221

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	1965	1965	430.13	8.06	0.21	0.35
2	A₁	973	973	56.83	6.81	0.07	0.13
3	A₁	585	585	5.57	1.18	0.75	0.86
4	B₁	784	784	35.46	0.63	0.75	0.86
5	B₂	1253	1253	410.43	0.62	0.75	0.86
6	B₂	621	621	6.48	2.31	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	1.316
C2	0.000	0.143
F3	1.062	-0.633
F4	-1.062	-0.633

	O1	C2	F3	F4
O1		1.1725	2.2193	2.2193
C2	1.1725		1.3155	1.3155
F3	2.2193	1.3155		2.1242
F4	2.2193	1.3155	2.1242

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	F3	126.160		O1	C2	F4	126.160
F3	C2	F4	107.680

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

using model chemistry: B2PLYP=FULLultrafine/cc-pCVTZ

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/cc-pCVTZ

States and conformations

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