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	hartrees
Energy at 0K	-313.123606
Energy at 298.15K
HF Energy	-313.123606
Nuclear repulsion energy	117.734102

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	1872	1866	426.92	11.97	0.13	0.23
2	A₁	899	896	60.45	9.56	0.05	0.10
3	A₁	548	546	4.23	1.05	0.73	0.84
4	B₁	732	729	27.31	0.34	0.75	0.86
5	B₂	1115	1112	409.35	2.03	0.75	0.86
6	B₂	584	582	2.91	1.89	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	1.334
C2	0.000	0.152
F3	1.081	-0.643
F4	-1.081	-0.643

	O1	C2	F3	F4
O1		1.1824	2.2534	2.2534
C2	1.1824		1.3415	1.3415
F3	2.2534	1.3415		2.1611
F4	2.2534	1.3415	2.1611

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	F3	126.345		O1	C2	F4	126.345
F3	C2	F4	107.311

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

using model chemistry: BLYP/aug-cc-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	-0.262
2	C	0.683
3	F	-0.210
4	F	-0.210

	x	y	z	Total
	0.000	0.000	-0.932	0.932
CHELPG
AIM
ESP

<r²>	56.180
(<r²>)^1/2	7.495

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

using model chemistry: BLYP/aug-cc-pVTZ

States and conformations

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