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	hartrees
Energy at 0K	-312.820725
Energy at 298.15K
HF Energy	-312.820725
Nuclear repulsion energy	118.019396

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	1913	1903	423.27	11.31	0.10	0.19
2	A₁	927	923	54.98	9.50	0.05	0.10
3	A₁	557	555	4.45	1.01	0.73	0.85
4	B₁	738	734	25.33	0.37	0.75	0.86
5	B₂	1174	1168	401.75	1.74	0.75	0.86
6	B₂	588	585	4.09	1.74	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	1.335
C2	0.000	0.145
F3	1.076	-0.642
F4	-1.076	-0.642

	O1	C2	F3	F4
O1		1.1895	2.2501	2.2501
C2	1.1895		1.3328	1.3328
F3	2.2501	1.3328		2.1517
F4	2.2501	1.3328	2.1517

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	F3	126.178		O1	C2	F4	126.178
F3	C2	F4	107.644

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

using model chemistry: PBEPBE/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	-0.059
2	C	0.315
3	F	-0.128
4	F	-0.128

	x	y	z	Total
	0.000	0.000	-1.023	1.023
CHELPG
AIM
ESP

<r²>	55.837
(<r²>)^1/2	7.472

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

using model chemistry: PBEPBE/Sadlej_pVTZ

States and conformations

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