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	hartrees
Energy at 0K	-673.642689
Energy at 298.15K
HF Energy	-672.380914
Nuclear repulsion energy	463.180546

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.760
C2	0.000	0.000	-0.760
F3	0.000	1.265	1.195
F4	-1.095	-0.632	1.195
F5	1.095	-0.632	1.195
F6	0.000	-1.265	-1.195
F7	-1.095	0.632	-1.195
F8	1.095	0.632	-1.195

	C1	C2	F3	F4	F5	F6	F7	F8
C1		1.5207	1.3373	1.3373	1.3373	2.3289	2.3289	2.3289
C2	1.5207		2.3289	2.3289	2.3289	1.3373	1.3373	1.3373
F3	1.3373	2.3289		2.1903	2.1903	3.4801	2.7044	2.7044
F4	1.3373	2.3289	2.1903		2.1903	2.7044	2.7044	3.4801
F5	1.3373	2.3289	2.1903	2.1903		2.7044	3.4801	2.7044
F6	2.3289	1.3373	3.4801	2.7044	2.7044		2.1903	2.1903
F7	2.3289	1.3373	2.7044	2.7044	3.4801	2.1903		2.1903
F8	2.3289	1.3373	2.7044	3.4801	2.7044	2.1903	2.1903

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.980	C1	C2	F7	108.980
C1	C2	F8	108.980	C2	C1	F3	108.980
C2	C1	F4	108.980	C2	C1	F5	108.980
F3	C1	F4	109.958	F3	C1	F5	109.958
F4	C1	F5	109.958	F6	C2	F7	109.958
F6	C2	F8	109.958	F7	C2	F8	109.958

All results from a given calculation for C₂F₆ (hexafluoroethane)

using model chemistry: MP3/6-31+G**

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 C2F6 (hexafluoroethane)

using model chemistry: MP3/6-31+G**

States and conformations

All results from a given calculation for C₂F₆ (hexafluoroethane)