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	hartrees
Energy at 0K	-312.847453
Energy at 298.15K
HF Energy	-312.847453
Nuclear repulsion energy	118.397008

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	1912	1912	397.50	7.31	0.21	0.34
2	A₁	931	931	52.80	7.07	0.07	0.13
3	A₁	560	560	4.44	1.30	0.75	0.86
4	B₁	747	747	26.11	0.49	0.75	0.86
5	B₂	1178	1178	389.14	0.83	0.75	0.86
6	B₂	593	593	4.00	2.42	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	1.329
C2	0.000	0.147
F3	1.073	-0.640
F4	-1.073	-0.640

	O1	C2	F3	F4
O1		1.1816	2.2423	2.2423
C2	1.1816		1.3308	1.3308
F3	2.2423	1.3308		2.1459
F4	2.2423	1.3308	2.1459

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	F3	126.271		O1	C2	F4	126.271
F3	C2	F4	107.458

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

using model chemistry: PBEPBEultrafine/cc-pCVTZ

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	-0.228
2	C	0.408
3	F	-0.090
4	F	-0.090

	x	y	z	Total
	0.000	0.000	-1.039	1.039
CHELPG
AIM
ESP

<r²>	55.340
(<r²>)^1/2	7.439

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

using model chemistry: PBEPBEultrafine/cc-pCVTZ

States and conformations

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