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	hartrees
Energy at 0K	-312.999989
Energy at 298.15K
HF Energy	-312.999989
Nuclear repulsion energy	119.458371

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	1990	1990	470.24	10.91	0.11	0.19
2	A₁	980	980	56.49	8.23	0.05	0.09
3	A₁	582	582	4.97	0.86	0.74	0.85
4	B₁	780	780	33.22	0.47	0.75	0.86
5	B₂	1257	1257	419.20	1.11	0.75	0.86
6	B₂	618	618	6.53	1.55	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	1.318
C2	0.000	0.141
F3	1.064	-0.633
F4	-1.064	-0.633

	O1	C2	F3	F4
O1		1.1777	2.2223	2.2223
C2	1.1777		1.3152	1.3152
F3	2.2223	1.3152		2.1275
F4	2.2223	1.3152	2.1275

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	F3	126.023		O1	C2	F4	126.023
F3	C2	F4	107.955

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

using model chemistry: B3PW91/Sadlej_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	-0.107
2	C	0.419
3	F	-0.156
4	F	-0.156

	x	y	z	Total
	0.000	0.000	-1.090	1.090
CHELPG
AIM
ESP

<r²>	54.694
(<r²>)^1/2	7.396

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

using model chemistry: B3PW91/Sadlej_pVTZ

States and conformations

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