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	hartrees
Energy at 0K	-308.572996
Energy at 298.15K
HF Energy	-308.572996
Nuclear repulsion energy	113.443892

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	1907	1701	104.40	2.46	0.38	0.55
2	A₁	964	860	10.48	4.82	0.09	0.17
3	A₁	491	438	2.96	1.49	0.75	0.86
4	B₁	621	554	8.91	0.29	0.75	0.86
5	B₂	1354	1208	164.34	0.43	0.75	0.86
6	B₂	534	476	8.29	2.04	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	1.389
C2	0.000	0.143
F3	1.121	-0.665
F4	-1.121	-0.665

	O1	C2	F3	F4
O1		1.2464	2.3399	2.3399
C2	1.2464		1.3814	1.3814
F3	2.3399	1.3814		2.2411
F4	2.3399	1.3814	2.2411

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	F3	125.786		O1	C2	F4	125.786
F3	C2	F4	108.429

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

using model chemistry: B3LYP/STO-3G

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	-0.194
2	C	0.301
3	F	-0.053
4	F	-0.053

	x	y	z	Total
	0.000	0.000	-1.095	1.095
CHELPG
AIM
ESP

<r²>	57.465
(<r²>)^1/2	7.581

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

using model chemistry: B3LYP/STO-3G

States and conformations

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