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	hartrees
Energy at 0K	-313.063882
Energy at 298.15K
HF Energy	-313.063882
Nuclear repulsion energy	120.270391

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	2014	1927	470.07	7.64	0.20	0.34
2	A₁	999	957	56.17	6.09	0.07	0.13
3	A₁	588	563	5.47	1.08	0.75	0.86
4	B₁	794	760	36.82	0.60	0.75	0.86
5	B₂	1286	1231	424.48	0.51	0.75	0.86
6	B₂	627	600	7.51	2.06	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	1.309
C2	0.000	0.142
F3	1.056	-0.629
F4	-1.056	-0.629

	O1	C2	F3	F4
O1		1.1673	2.2073	2.2073
C2	1.1673		1.3077	1.3077
F3	2.2073	1.3077		2.1129
F4	2.2073	1.3077	2.1129

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	F3	126.112		O1	C2	F4	126.112
F3	C2	F4	107.775

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

using model chemistry: B1B95/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	-0.220
2	C	0.436
3	F	-0.108
4	F	-0.108

	x	y	z	Total
	0.000	0.000	-1.087	1.087
CHELPG
AIM
ESP

<r²>	53.966
(<r²>)^1/2	7.346

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

using model chemistry: B1B95/cc-pVTZ

States and conformations

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