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	hartrees
Energy at 0K	-312.844885
Energy at 298.15K
HF Energy	-312.844885
Nuclear repulsion energy	118.208134

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	1916	1894	441.49	8.19	0.20	0.33
2	A₁	922	912	61.85	8.03	0.08	0.15
3	A₁	559	553	5.22	1.70	0.75	0.85
4	B₁	737	728	28.47	0.68	0.75	0.86
5	B₂	1160	1147	436.65	0.71	0.75	0.86
6	B₂	593	586	3.59	3.29	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	1.330
C2	0.000	0.148
F3	1.076	-0.640
F4	-1.076	-0.640

	O1	C2	F3	F4
O1		1.1820	2.2446	2.2446
C2	1.1820		1.3337	1.3337
F3	2.2446	1.3337		2.1521
F4	2.2446	1.3337	2.1521

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	F3	126.211		O1	C2	F4	126.211
F3	C2	F4	107.579

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

using model chemistry: PBEPBEultrafine/TZVP

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	-0.194
2	C	0.393
3	F	-0.099
4	F	-0.099

	x	y	z	Total
	0.000	0.000	-0.963	0.963
CHELPG
AIM
ESP

<r²>	55.740
(<r²>)^1/2	7.466

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

using model chemistry: PBEPBEultrafine/TZVP

States and conformations

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