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	hartrees
Energy at 0K	-308.600947
Energy at 298.15K
HF Energy	-308.600947
Nuclear repulsion energy	114.811241

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	2013	2013	120.70	3.20	0.34	0.51
2	A₁	1017	1017	11.79	4.21	0.09	0.17
3	A₁	509	509	3.59	1.38	0.75	0.86
4	B₁	662	662	15.21	0.44	0.75	0.86
5	B₂	1451	1451	171.63	0.15	0.75	0.86
6	B₂	559	559	11.72	1.89	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	1.369
C2	0.000	0.138
F3	1.111	-0.655
F4	-1.111	-0.655

	O1	C2	F3	F4
O1		1.2315	2.3086	2.3086
C2	1.2315		1.3645	1.3645
F3	2.3086	1.3645		2.2217
F4	2.3086	1.3645	2.2217

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	F3	125.498		O1	C2	F4	125.498
F3	C2	F4	109.005

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

using model chemistry: M06-2X/STO-3G

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	-0.203
2	C	0.350
3	F	-0.073
4	F	-0.073

	x	y	z	Total
	0.000	0.000	-1.019	1.019
CHELPG
AIM
ESP

<r²>	56.462
(<r²>)^1/2	7.514

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

using model chemistry: M06-2X/STO-3G

States and conformations

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