I.B.3. (II.A.2.)

All data (experiment and calculated) in the CCCBDB for NaF (sodium fluoride)

Other names
Alcoa sodium fluoride; Antibulit; Checkmate; FDA 0101; Floridine; Florocid; Fluonatril; Fluoraday; Fluorid sodny; Fluoride, sodium; Fluorident; Fluorinse; Fluorol; Fluorure de sodium; Flura; Flura Drops; Flurexal; Flursol; Flux; Fungol B; Gel II; Karidium; Koreberon; Les-Cav; Liquiflur; Luride; Minute-Gel; NCI-C55221; Ossalin; Ossin; Osteopor-F; Pediaflor; Pergantene; Roach salt; Sodium flouride; Sodium Fluoride; Sodium fluoride (Na2F2); Sodium fluoride (NaF); Sodium fluoride cyclic dimer; Sodium fluorure; Sodium hydrofluoride; Sodium monofluoride; t-Fluoride; Zymafluor; Xaridium; Villiaumite;

Other names

Alcoa sodium fluoride; Antibulit; Checkmate; FDA 0101; Floridine; Florocid; Fluonatril; Fluoraday; Fluorid sodny; Fluoride, sodium; Fluorident; Fluorinse; Fluorol; Fluorure de sodium; Flura; Flura Drops; Flurexal; Flursol; Flux; Fungol B; Gel II; Karidium; Koreberon; Les-Cav; Liquiflur; Luride; Minute-Gel; NCI-C55221; Ossalin; Ossin; Osteopor-F; Pediaflor; Pergantene; Roach salt; Sodium flouride; Sodium Fluoride; Sodium fluoride (Na2F2); Sodium fluoride (NaF); Sodium fluoride cyclic dimer; Sodium fluorure; Sodium hydrofluoride; Sodium monofluoride; t-Fluoride; Zymafluor; Xaridium; Villiaumite;

INChI
InChI=1/FH.Na/h1H;/q;+1/p-1

An "x" indicates that data is available. A number indicates how many calculations have been completed.

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		243
	Energy 298.15K		221
	Atomization Enthalpy 298.15K	x	215	x
	Atomization Enthalpy 0K	x	222	x
	Entropy (298.15K)	x	186	x
	Entropy at any temperature		186
	Integrated Heat Capacity	x	186	x
	Heat Capacity (Cp)	x	186	x
	Nuclear Repulsion Energy		207
	HOMO-LUMO Energies		183
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	179
	Internal Coordinates	x	179	x
	Products of moments of inertia	x	200	x
	Rotational Constants	x	202	x
	Point Group		209
Vibrations	Vibrational Frequencies	x	202	x
	Vibrational Intensities		182
	Zero-point energies	x	202	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		138
	Dipole	x	143	x
	Quadrupole	x	139	x
	Polarizability		127
Other results	Spin		12
	Number of basis functions		31
	Diagnostics		5
	Conformations		1