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	hartrees
Energy at 0K	-313.015072
Energy at 298.15K
HF Energy	-313.015072
Nuclear repulsion energy	120.023913

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	2031	2031	504.25	6.91	0.23	0.37
2	A₁	991	991	61.45	5.75	0.10	0.17
3	A₁	591	591	5.85	1.36	0.75	0.86
4	B₁	794	794	41.90	0.82	0.75	0.86
5	B₂	1272	1272	467.72	0.20	0.75	0.86
6	B₂	631	631	8.29	2.73	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	1.310
C2	0.000	0.143
F3	1.060	-0.630
F4	-1.060	-0.630

	O1	C2	F3	F4
O1		1.1677	2.2107	2.2107
C2	1.1677		1.3114	1.3114
F3	2.2107	1.3114		2.1196
F4	2.2107	1.3114	2.1196

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	F3	126.084		O1	C2	F4	126.084
F3	C2	F4	107.832

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

using model chemistry: wB97X-D/6-311G*

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	-0.277
2	C	0.576
3	F	-0.149
4	F	-0.149

	x	y	z	Total
	0.000	0.000	-1.062	1.062
CHELPG
AIM
ESP

<r²>	54.174
(<r²>)^1/2	7.360

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

using model chemistry: wB97X-D/6-311G*

States and conformations

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