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	hartrees
Energy at 0K	-575.466748
Energy at 298.15K
HF Energy	-573.739713
Nuclear repulsion energy	360.830209

Atom	x (Å)	y (Å)	z (Å)
C1	0.119	-0.599	0.000
C2	-0.602	0.743	0.000
F3	1.437	-0.438	0.000
F4	-0.232	-1.295	1.083
F5	-0.232	-1.295	-1.083
F6	-0.232	1.432	-1.097
F7	-0.232	1.432	1.097
H8	-1.677	0.600	0.000

	C1	C2	F3	F4	F5	F6	F7	H8
C1		1.5238	1.3278	1.3344	1.3344	2.3351	2.3351	2.1603
C2	1.5238		2.3560	2.3371	2.3371	1.3467	1.3467	1.0851
F3	1.3278	2.3560		2.1669	2.1669	2.7360	2.7360	3.2828
F4	1.3344	2.3371	2.1669		2.1665	3.4909	2.7266	2.6176
F5	1.3344	2.3371	2.1669	2.1665		2.7266	3.4909	2.6176
F6	2.3351	1.3467	2.7360	3.4909	2.7266		2.1933	1.9954
F7	2.3351	1.3467	2.7360	2.7266	3.4909	2.1933		1.9954
H8	2.1603	1.0851	3.2828	2.6176	2.6176	1.9954	1.9954

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.724	C1	C2	F7	108.724
C1	C2	H8	110.676	C2	C1	F3	111.239
C2	C1	F4	109.531	C2	C1	F5	109.531
F3	C1	F4	108.972	F3	C1	F5	108.972
F4	C1	F5	108.548	F6	C2	F7	109.045
F6	C2	H8	109.818	F7	C2	H8	109.818

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)

using model chemistry: MP4=FULL/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: MP4=FULL/cc-pVTZ

States and conformations

All results from a given calculation for CF₃CHF₂ (pentafluoroethane)