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	hartrees
Energy at 0K	-575.410856
Energy at 298.15K
HF Energy	-573.747397
Nuclear repulsion energy	359.697863

Atom	x (Å)	y (Å)	z (Å)
C1	0.120	-0.603	0.000
C2	-0.605	0.749	0.000
F3	1.441	-0.446	0.000
F4	-0.232	-1.300	1.084
F5	-0.232	-1.300	-1.084
F6	-0.232	1.441	-1.097
F7	-0.232	1.441	1.097
H8	-1.688	0.610	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5344	1.3299	1.3364	1.3364	2.3460	2.3460	2.1773
C2	1.5344		2.3698	2.3484	2.3484	1.3495	1.3495	1.0916
F3	1.3299	2.3698		2.1688	2.1688	2.7501	2.7501	3.3023
F4	1.3364	2.3484	2.1688		2.1686	3.5030	2.7408	2.6352
F5	1.3364	2.3484	2.1688	2.1686		2.7408	3.5030	2.6352
F6	2.3460	1.3495	2.7501	3.5030	2.7408		2.1946	2.0033
F7	2.3460	1.3495	2.7501	2.7408	3.5030	2.1946		2.0033
H8	2.1773	1.0916	3.3023	2.6352	2.6352	2.0033	2.0033

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.706	C1	C2	F7	108.706
C1	C2	H8	110.890	C2	C1	F3	111.449
C2	C1	F4	109.583	C2	C1	F5	109.583
F3	C1	F4	108.856	F3	C1	F5	108.856
F4	C1	F5	108.456	F6	C2	F7	108.804
F6	C2	H8	109.846	F7	C2	H8	109.846

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

using model chemistry: QCISD(T)/aug-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 CF3CHF2 (pentafluoroethane)

using model chemistry: QCISD(T)/aug-cc-pVTZ

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)