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	hartrees
Energy at 0K	-310.996027
Energy at 298.15K
HF Energy	-310.996027
Nuclear repulsion energy	115.743956

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	1876	1859	267.92	3.88	0.33	0.50
2	A₁	910	902	25.74	7.39	0.11	0.20
3	A₁	530	525	5.02	1.83	0.75	0.86
4	B₁	714	708	21.05	0.59	0.75	0.86
5	B₂	1229	1218	301.68	0.56	0.75	0.86
6	B₂	587	581	6.87	3.36	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	1.357
C2	0.000	0.152
F3	1.100	-0.654
F4	-1.100	-0.654

	O1	C2	F3	F4
O1		1.2052	2.2917	2.2917
C2	1.2052		1.3631	1.3631
F3	2.2917	1.3631		2.1993
F4	2.2917	1.3631	2.1993

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	F3	126.222		O1	C2	F4	126.222
F3	C2	F4	107.557

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

using model chemistry: PBEPBE/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	-0.390
2	C	0.805
3	F	-0.208
4	F	-0.208

	x	y	z	Total
	0.000	0.000	-0.927	0.927
CHELPG
AIM
ESP

<r²>	57.172
(<r²>)^1/2	7.561

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

using model chemistry: PBEPBE/3-21G

States and conformations

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