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	hartrees
Energy at 0K	-312.706075
Energy at 298.15K
HF Energy	-312.706075
Nuclear repulsion energy	119.576429

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	2035	1940	434.02	6.14	0.28	0.44
2	A₁	1004	957	47.77	6.47	0.09	0.17
3	A₁	581	554	5.04	1.09	0.75	0.86
4	B₁	781	744	34.90	0.84	0.75	0.86
5	B₂	1326	1263	405.49	0.33	0.75	0.86
6	B₂	622	593	8.85	2.41	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	1.318
C2	0.000	0.141
F3	1.062	-0.633
F4	-1.062	-0.633

	O1	C2	F3	F4
O1		1.1771	2.2208	2.2208
C2	1.1771		1.3137	1.3137
F3	2.2208	1.3137		2.1239
F4	2.2208	1.3137	2.1239

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	F3	126.063		O1	C2	F4	126.063
F3	C2	F4	107.873

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

using model chemistry: PBE1PBE/6-31G**

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	-0.373
2	C	0.785
3	F	-0.206
4	F	-0.206

	x	y	z	Total
	0.000	0.000	-1.202	1.202
CHELPG
AIM
ESP

<r²>	54.235
(<r²>)^1/2	7.364

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

using model chemistry: PBE1PBE/6-31G**

States and conformations

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