Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All data (experiment and calculated) in the CCCBDB for CH₃CHF₂ (Ethane, 1,1-difluoro-)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		611
	Energy 298.15K		64
	Atomization Enthalpy 298.15K	x	49	x
	Atomization Enthalpy 0K	x	49	x
	Entropy (298.15K)	x	19	x
	Entropy at any temperature		19
	Integrated Heat Capacity	x	19	x
	Heat Capacity (Cp)	x	19	x
	Nuclear Repulsion Energy		576
	HOMO-LUMO Energies		526
	Barriers to Internal Rotation	x	448	x
Geometries	Cartesians	x	556
	Internal Coordinates	x	556	x
	Products of moments of inertia	x	557	x
	Rotational Constants	x	566	x
	Point Group		575
Vibrations	Vibrational Frequencies	fun.	555	x
	Vibrational Intensities		703
	Zero-point energies		555
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		414
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		373
	Dipole	x	494	x
	Quadrupole	x	418	x
	Polarizability		435
Other results	Spin		0
	Number of basis functions		35
	Conformations		1