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 CH₂Cl (chloromethyl radical)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		1393
	Energy 298.15K		134
	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		1395
	HOMO-LUMO Energies		1243
	Barriers to Internal Rotation		264
Geometries	Cartesians		1394
	Internal Coordinates	x	1394	x
	Products of moments of inertia	x	1378	x
	Rotational Constants	x	1394	x
	Point Group		1397
Vibrations	Vibrational Frequencies	fun.	1380	x
	Vibrational Intensities		1469
	Zero-point energies		1380
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		591
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		816
	Dipole		1004
	Quadrupole		857
	Polarizability		875
Other results	Spin		1395
	Number of basis functions		107
	Conformations		2	x