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	hartrees
Energy at 0K	-312.913254
Energy at 298.15K
HF Energy	-312.913254
Nuclear repulsion energy	115.443838

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	1869	1798	354.35	6.07	0.30	0.46
2	A₁	897	863	37.77	8.49	0.12	0.21
3	A₁	514	495	6.75	2.18	0.75	0.86
4	B₁	688	662	31.31	0.85	0.75	0.86
5	B₂	1183	1138	368.00	0.66	0.75	0.86
6	B₂	572	550	8.72	4.17	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	1.357
C2	0.000	0.157
F3	1.105	-0.655
F4	-1.105	-0.655

	O1	C2	F3	F4
O1		1.2006	2.2956	2.2956
C2	1.2006		1.3708	1.3708
F3	2.2956	1.3708		2.2092
F4	2.2956	1.3708	2.2092

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	F3	126.316		O1	C2	F4	126.316
F3	C2	F4	107.369

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

using model chemistry: TPSSh/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	-0.294
2	C	0.759
3	F	-0.233
4	F	-0.233

	x	y	z	Total
	0.000	0.000	-0.737	0.737
CHELPG
AIM
ESP

<r²>	57.848
(<r²>)^1/2	7.606

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

using model chemistry: TPSSh/6-31G

States and conformations

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