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	hartrees
Energy at 0K	-312.981545
Energy at 298.15K
HF Energy	-312.687417
Nuclear repulsion energy	119.473633

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	1949	1949	457.17	12.03	0.13	0.23
2	A₁	965	965	60.56	9.19	0.05	0.10
3	A₁	580	580	5.43	0.91	0.75	0.85
4	B₁	778	778	34.46	0.44	0.75	0.86
5	B₂	1232	1232	420.12	1.41	0.75	0.86
6	B₂	617	617	6.20	1.68	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	1.318
C2	0.000	0.144
F3	1.063	-0.634
F4	-1.063	-0.634

	O1	C2	F3	F4
O1		1.1736	2.2222	2.2222
C2	1.1736		1.3174	1.3174
F3	2.2222	1.3174		2.1265
F4	2.2222	1.3174	2.1265

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	F3	126.184		O1	C2	F4	126.184
F3	C2	F4	107.632

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

using model chemistry: B2PLYP/aug-cc-pCVTZ

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	-0.366
2	C	0.768
3	F	-0.201
4	F	-0.201

	x	y	z	Total
	0.000	0.000	-1.013	1.013
CHELPG
AIM
ESP

<r²>	54.828
(<r²>)^1/2	7.405

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

using model chemistry: B2PLYP/aug-cc-pCVTZ

States and conformations

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