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	hartrees
Energy at 0K	-312.994658
Energy at 298.15K
HF Energy	-312.685569
Nuclear repulsion energy	119.562854

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	1955	1955	457.97	12.29	0.12	0.21
2	A₁	968	968	60.81	9.31	0.05	0.10
3	A₁	582	582	5.38	0.87	0.74	0.85
4	B₁	780	780	34.36	0.43	0.75	0.86
5	B₂	1231	1231	420.12	1.37	0.75	0.86
6	B₂	616	616	6.43	1.61	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	1.317
C2	0.000	0.144
F3	1.062	-0.633
F4	-1.062	-0.633

	O1	C2	F3	F4
O1		1.1726	2.2208	2.2208
C2	1.1726		1.3165	1.3165
F3	2.2208	1.3165		2.1243
F4	2.2208	1.3165	2.1243

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	F3	126.213		O1	C2	F4	126.213
F3	C2	F4	107.573

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

using model chemistry: B2PLYP=FULLultrafine/daug-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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HF vs MP2 Bad vib. Calc. vs exp. 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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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All results from a given calculation for CF2O (Carbonic difluoride)

using model chemistry: B2PLYP=FULLultrafine/daug-cc-pVTZ

States and conformations

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