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

All data (experiment and calculated) in the CCCBDB for HCOOH (Formic acid)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		296
	Energy 298.15K		265
	Atomization Enthalpy 298.15K	x	255	x
	Atomization Enthalpy 0K	x	258	x
	Entropy (298.15K)	x	224	x
	Entropy at any temperature		224
	Integrated Heat Capacity	x	223	x
	Heat Capacity (Cp)	x	223	x
	Nuclear Repulsion Energy		238
	HOMO-LUMO Energies		232
	Barriers to Internal Rotation	x	15	x
Geometries	Cartesians	x	183
	Internal Coordinates	x	183	x
	Products of moments of inertia	x	214	x
	Rotational Constants	x	218	x
	Point Group		219
Vibrations	Vibrational Frequencies	x	217	x
	Vibrational Intensities		199
	Zero-point energies	x	217	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		4
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		175
	Dipole	x	165	x
	Quadrupole	x	160	x
	Polarizability	x	145	x
Other results	Spin		0
	Number of basis functions		30
	Diagnostics		5
	Conformations		1