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	hartrees
Energy at 0K	-308.505456
Energy at 298.15K
HF Energy	-308.505456
Nuclear repulsion energy	113.792740

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	1937	1714	107.90	2.38	0.38	0.55
2	A₁	976	864	10.80	4.77	0.09	0.17
3	A₁	499	441	3.07	1.47	0.75	0.86
4	B₁	631	559	9.34	0.28	0.75	0.86
5	B₂	1371	1214	168.15	0.43	0.75	0.86
6	B₂	541	479	8.44	2.01	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	1.385
C2	0.000	0.142
F3	1.117	-0.663
F4	-1.117	-0.663

	O1	C2	F3	F4
O1		1.2432	2.3330	2.3330
C2	1.2432		1.3768	1.3768
F3	2.3330	1.3768		2.2337
F4	2.3330	1.3768	2.2337

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	F3	125.788		O1	C2	F4	125.788
F3	C2	F4	108.425

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

using model chemistry: B3PW91/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	-0.193
2	C	0.299
3	F	-0.053
4	F	-0.053

	x	y	z	Total
	0.000	0.000	-1.103	1.103
CHELPG
AIM
ESP

<r²>	57.179
(<r²>)^1/2	7.562

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

using model chemistry: B3PW91/STO-3G

States and conformations

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