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	hartrees
Energy at 0K	-1034.427242
Energy at 298.15K
HF Energy	-1032.669126
Nuclear repulsion energy	536.772008

Atom	x (Å)	y (Å)	z (Å)
C1	0.090	-0.635	0.000
C2	-0.624	0.735	0.000
Cl3	1.836	-0.444	0.000
F4	-0.295	-1.309	1.080
F5	-0.295	-1.309	-1.080
F6	-1.933	0.538	0.000
F7	-0.295	1.426	1.078
F8	-0.295	1.426	-1.078

	C1	C2	Cl3	F4	F5	F6	F7	F8
C1		1.5447	1.7569	1.3298	1.3298	2.3381	2.3571	2.3571
C2	1.5447		2.7280	2.3353	2.3353	1.3245	1.3219	1.3219
Cl3	1.7569	2.7280		2.5408	2.5408	3.8953	3.0332	3.0332
F4	1.3298	2.3353	2.5408		2.1596	2.6945	2.7347	3.4837
F5	1.3298	2.3353	2.5408	2.1596		2.6945	3.4837	2.7347
F6	2.3381	1.3245	3.8953	2.6945	2.6945		2.1532	2.1532
F7	2.3571	1.3219	3.0332	2.7347	3.4837	2.1532		2.1568
F8	2.3571	1.3219	3.0332	3.4837	2.7347	2.1532	2.1568

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.912	C1	C2	F7	110.382
C1	C2	F8	110.382	C2	C1	Cl3	111.271
C2	C1	F4	108.434	C2	C1	F5	108.434
Cl3	C1	F4	110.028	Cl3	C1	F5	110.028
F4	C1	F5	108.578	F6	C2	F7	108.903
F6	C2	F8	108.903	F7	C2	F8	109.325

All results from a given calculation for CF₃CF₂Cl (pentafluorochloroethane)

using model chemistry: CCSD/cc-pVTZ

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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All results from a given calculation for CF3CF2Cl (pentafluorochloroethane)

using model chemistry: CCSD/cc-pVTZ

States and conformations

All results from a given calculation for CF₃CF₂Cl (pentafluorochloroethane)