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	hartrees
Energy at 0K	-312.710962
Energy at 298.15K
HF Energy	-312.710962
Nuclear repulsion energy	117.895453

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	1936	1909	368.38	5.66	0.30	0.46
2	A₁	941	928	43.81	7.53	0.10	0.18
3	A₁	553	546	4.09	1.33	0.75	0.86
4	B₁	734	724	23.40	0.66	0.75	0.86
5	B₂	1230	1213	372.25	0.61	0.75	0.86
6	B₂	590	582	5.28	2.74	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	1.336
C2	0.000	0.145
F3	1.077	-0.642
F4	-1.077	-0.642

	O1	C2	F3	F4
O1		1.1911	2.2528	2.2528
C2	1.1911		1.3341	1.3341
F3	2.2528	1.3341		2.1533
F4	2.2528	1.3341	2.1533

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	F3	126.193		O1	C2	F4	126.193
F3	C2	F4	107.615

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

using model chemistry: PBEPBE/6-31G**

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	-0.337
2	C	0.686
3	F	-0.175
4	F	-0.175

	x	y	z	Total
	0.000	0.000	-1.144	1.144
CHELPG
AIM
ESP

<r²>	55.384
(<r²>)^1/2	7.442

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

using model chemistry: PBEPBE/6-31G**

States and conformations

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