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

All data (experiment and calculated) in the CCCBDB for H₂CS (Thioformaldehyde)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		314
	Energy 298.15K		278
	Atomization Enthalpy 298.15K	x	265	x
	Atomization Enthalpy 0K	x	269	x
	Entropy (298.15K)		262
	Entropy at any temperature		262
	Integrated Heat Capacity		262
	Heat Capacity (Cp)		262
	Nuclear Repulsion Energy		277
	HOMO-LUMO Energies		264
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	249
	Internal Coordinates	x	249	x
	Products of moments of inertia	x	249	x
	Rotational Constants	x	253	x
	Point Group		261
Vibrations	Vibrational Frequencies	x	252	x
	Vibrational Intensities		226
	Zero-point energies	x	252	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		3
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		183
	Dipole	x	175	x
	Quadrupole		170
	Polarizability		160
Other results	Spin		0
	Number of basis functions		34
	Diagnostics		6
	Conformations		1