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	hartrees
Energy at 0K	-312.963874
Energy at 298.15K
HF Energy	-312.680221
Nuclear repulsion energy	119.539624

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	1885	435.16	8.16	0.21	0.35
2	A₁	972	933	56.84	6.91	0.07	0.13
3	A₁	584	561	5.58	1.19	0.75	0.86
4	B₁	783	751	35.25	0.62	0.75	0.86
5	B₂	1253	1202	413.90	0.64	0.75	0.86
6	B₂	621	596	6.50	2.30	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	1.317
C2	0.000	0.143
F3	1.063	-0.633
F4	-1.063	-0.633

	O1	C2	F3	F4
O1		1.1737	2.2210	2.2210
C2	1.1737		1.3162	1.3162
F3	2.2210	1.3162		2.1253
F4	2.2210	1.3162	2.1253

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	F3	126.161		O1	C2	F4	126.161
F3	C2	F4	107.678

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

using model chemistry: B2PLYP/cc-pVTZ

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	-0.209
2	C	0.448
3	F	-0.119
4	F	-0.119

	x	y	z	Total
	0.000	0.000	-1.042	1.042
CHELPG
AIM
ESP

<r²>	54.599
(<r²>)^1/2	7.389

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

using model chemistry: B2PLYP/cc-pVTZ

States and conformations

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