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	hartrees
Energy at 0K	-598.073726
Energy at 298.15K
HF Energy	-597.417929
Nuclear repulsion energy	93.944774

Atom	x (Å)	y (Å)	z (Å)
C1	0.538	0.546	-0.129
H2	0.720	1.497	0.348
F3	1.512	-0.339	0.026
Cl4	-1.033	-0.101	0.011

	C1	H2	F3	Cl4
C1		1.0799	1.3255	1.7044
H2	1.0799		2.0259	2.3959
F3	1.3255	2.0259		2.5564
Cl4	1.7044	2.3959	2.5564

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	F3	114.370		H2	C1	Cl4	116.962
F3	C1	Cl4	114.498

All results from a given calculation for CHFCl (Chlorofluoromethyl radical)

using model chemistry: CCSD/aug-cc-pVQZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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