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	hartrees
Energy at 0K	-312.763956
Energy at 298.15K
HF Energy	-312.763956
Nuclear repulsion energy	117.622050

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	1897	1885	421.08	10.79	0.15	0.26
2	A₁	909	903	56.47	9.42	0.06	0.11
3	A₁	544	540	4.35	1.13	0.74	0.85
4	B₁	734	729	25.39	0.34	0.75	0.86
5	B₂	1145	1138	402.41	2.10	0.75	0.86
6	B₂	577	574	3.79	1.99	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	1.338
C2	0.000	0.150
F3	1.080	-0.645
F4	-1.080	-0.645

	O1	C2	F3	F4
O1		1.1881	2.2575	2.2575
C2	1.1881		1.3404	1.3404
F3	2.2575	1.3404		2.1591
F4	2.2575	1.3404	2.1591

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	F3	126.354		O1	C2	F4	126.354
F3	C2	F4	107.291

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

using model chemistry: PBEPBE/aug-cc-pVDZ

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	-0.288
2	C	0.883
3	F	-0.298
4	F	-0.298

	x	y	z	Total
	0.000	0.000	-0.964	0.964
CHELPG
AIM
ESP

<r²>	56.177
(<r²>)^1/2	7.495

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

using model chemistry: PBEPBE/aug-cc-pVDZ

States and conformations

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