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	hartrees
Energy at 0K	-69.908599
Energy at 298.15K
HF Energy	-69.908599
Nuclear repulsion energy	62.793936

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	1823	1766	378.46	9.49	0.29	0.45
2	A₁	863	836	47.79	10.84	0.10	0.19
3	A₁	508	491	8.36	2.38	0.75	0.86
4	B₁	671	649	35.99	0.86	0.75	0.86
5	B₂	1115	1080	396.05	1.85	0.75	0.86
6	B₂	552	535	9.36	4.57	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	1.369
C2	0.000	0.160
F3	1.112	-0.662
F4	-1.112	-0.662

	O1	C2	F3	F4
O1		1.2093	2.3157	2.3157
C2	1.2093		1.3826	1.3826
F3	2.3157	1.3826		2.2232
F4	2.3157	1.3826	2.2232

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	F3	126.487		O1	C2	F4	126.487
F3	C2	F4	107.027

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

using model chemistry: B3LYP/CEP-31G

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	0.019
2	C	0.173
3	F	-0.096
4	F	-0.096

	x	y	z	Total
	0.000	0.000	-0.660	0.660
CHELPG
AIM
ESP

<r²>	48.520
(<r²>)^1/2	6.966

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

using model chemistry: B3LYP/CEP-31G

States and conformations

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