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	hartrees
Energy at 0K	-313.025443
Energy at 298.15K
HF Energy	-313.025443
Nuclear repulsion energy	119.759606

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	1977	1908	475.00	11.08	0.12	0.22
2	A₁	978	944	58.65	8.16	0.05	0.10
3	A₁	581	561	5.00	0.85	0.74	0.85
4	B₁	784	756	33.89	0.43	0.75	0.86
5	B₂	1245	1201	422.61	1.24	0.75	0.86
6	B₂	620	599	6.30	1.53	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	1.314
C2	0.000	0.143
F3	1.062	-0.632
F4	-1.062	-0.632

	O1	C2	F3	F4
O1		1.1708	2.2161	2.2161
C2	1.1708		1.3141	1.3141
F3	2.2161	1.3141		2.1232
F4	2.2161	1.3141	2.1232

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	F3	126.111		O1	C2	F4	126.111
F3	C2	F4	107.777

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

using model chemistry: B3PW91/aug-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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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	-0.286
2	C	0.671
3	F	-0.192
4	F	-0.192

	x	y	z	Total
	0.000	0.000	-1.073	1.073
CHELPG
AIM
ESP

<r²>	54.496
(<r²>)^1/2	7.382

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

using model chemistry: B3PW91/aug-cc-pVTZ

States and conformations

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