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	hartrees
Energy at 0K	-311.219216
Energy at 298.15K
HF Energy	-311.219216
Nuclear repulsion energy	117.367554

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	1981	1981	329.47	4.76	0.31	0.48
2	A₁	966	966	31.44	6.48	0.11	0.20
3	A₁	557	557	6.62	1.59	0.75	0.86
4	B₁	752	752	38.57	0.91	0.75	0.86
5	B₂	1313	1313	345.46	0.26	0.75	0.86
6	B₂	622	622	11.76	3.10	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	1.336
C2	0.000	0.147
F3	1.087	-0.643
F4	-1.087	-0.643

	O1	C2	F3	F4
O1		1.1884	2.2575	2.2575
C2	1.1884		1.3439	1.3439
F3	2.2575	1.3439		2.1742
F4	2.2575	1.3439	2.1742

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	F3	126.011		O1	C2	F4	126.011
F3	C2	F4	107.978

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

using model chemistry: wB97X-D/3-21G

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	-0.431
2	C	0.947
3	F	-0.258
4	F	-0.258

	x	y	z	Total
	0.000	0.000	-0.917	0.917
CHELPG
AIM
ESP

<r²>	56.086
(<r²>)^1/2	7.489

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

using model chemistry: wB97X-D/3-21G

States and conformations

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