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

All data (experiment and calculated) in the CCCBDB for OCSe (Carbonyl selenide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		208
	Energy 298.15K		189
	Atomization Enthalpy 298.15K		186
	Atomization Enthalpy 0K		190
	Entropy (298.15K)		168
	Entropy at any temperature		168
	Integrated Heat Capacity		168
	Heat Capacity (Cp)		168
	Nuclear Repulsion Energy		184
	HOMO-LUMO Energies		181
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	183
	Internal Coordinates	x	183	x
	Products of moments of inertia	x	182	x
	Rotational Constants	x	185	x
	Point Group		191
Vibrations	Vibrational Frequencies	x	181	x
	Vibrational Intensities		175
	Zero-point energies	x	181	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		180
	Dipole	x	179	x
	Quadrupole	x	123	x
	Polarizability		121
Other results	Spin		0
	Number of basis functions		22
	Diagnostics		5
	Conformations		1