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

All data (experiment and calculated) in the CCCBDB for C₅H₁₀ (Cyclopropane, 1,1-dimethyl-)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		206
	Energy 298.15K		192
	Atomization Enthalpy 298.15K	x	185	x
	Atomization Enthalpy 0K	x	187	x
	Entropy (298.15K)	x	179	x
	Entropy at any temperature		179
	Integrated Heat Capacity	x	179	x
	Heat Capacity (Cp)	x	179	x
	Nuclear Repulsion Energy		195
	HOMO-LUMO Energies		113
	Barriers to Internal Rotation		0
Geometries	Cartesians		171
	Internal Coordinates	x	171	x
	Products of moments of inertia	x	184	x
	Rotational Constants	x	189	x
	Point Group		190
Vibrations	Vibrational Frequencies	x	190	x
	Vibrational Intensities		189
	Zero-point energies		190
	Vibrational scaling factors
	Anharmonic frequencies and constants		3
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		146
	Dipole	x	148	x
	Quadrupole		145
	Polarizability		130
Other results	Spin		0
	Number of basis functions		24
	Diagnostics		4
	Conformations		1