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	hartrees
Energy at 0K	-308.515805
Energy at 298.15K
HF Energy	-308.515805
Nuclear repulsion energy	112.475080

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	1857	1857	96.10	1.95	0.44	0.61
2	A₁	927	927	10.08	5.27	0.09	0.17
3	A₁	483	483	2.81	1.58	0.75	0.86
4	B₁	599	599	6.22	0.20	0.75	0.86
5	B₂	1287	1287	159.86	0.73	0.75	0.86
6	B₂	516	516	6.26	2.19	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	1.405
C2	0.000	0.148
F3	1.126	-0.674
F4	-1.126	-0.674

	O1	C2	F3	F4
O1		1.2565	2.3638	2.3638
C2	1.2565		1.3942	1.3942
F3	2.3638	1.3942		2.2525
F4	2.3638	1.3942	2.2525

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	F3	126.114		O1	C2	F4	126.114
F3	C2	F4	107.771

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

using model chemistry: B97D3/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	-0.185
2	C	0.273
3	F	-0.044
4	F	-0.044

	x	y	z	Total
	0.000	0.000	-1.112	1.112
CHELPG
AIM
ESP

<r²>	58.190
(<r²>)^1/2	7.628

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

using model chemistry: B97D3/STO-3G

States and conformations

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