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 CHF₂CH₂F (Ethane, 1,1,2-trifluoro)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		1057
	Energy 298.15K		20
	Atomization Enthalpy 298.15K		0
	Atomization Enthalpy 0K		0
	Entropy (298.15K)		0
	Entropy at any temperature		0
	Integrated Heat Capacity		0
	Heat Capacity (Cp)		0
	Nuclear Repulsion Energy		1059
	HOMO-LUMO Energies		971
	Barriers to Internal Rotation		325
Geometries	Cartesians		1059
	Internal Coordinates		1059
	Products of moments of inertia		1043
	Rotational Constants		1059
	Point Group		1061
Vibrations	Vibrational Frequencies	fun.	1025	x
	Vibrational Intensities		958
	Zero-point energies		1025
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		776
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		640
	Dipole	x	895	x
	Quadrupole		728
	Polarizability		758
Other results	Spin		0
	Number of basis functions		64
	Conformations		2	x