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	hartrees
Energy at 0K	-910.937012
Energy at 298.15K
HF Energy	-909.115885
Nuclear repulsion energy	794.001393

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.588
C2	0.000	1.301	-0.232
C3	0.000	-1.301	-0.232
F4	1.110	0.000	1.372
F5	-1.110	0.000	1.372
F6	0.000	2.350	0.607
F7	0.000	-2.350	0.607
F8	1.095	1.361	-1.010
F9	-1.095	1.361	-1.010
F10	-1.095	-1.361	-1.010
F11	1.095	-1.361	-1.010

	C1	C2	C3	F4	F5	F6	F7	F8	F9	F10	F11
C1		1.5372	1.5372	1.3595	1.3595	2.3497	2.3497	2.3670	2.3670	2.3670	2.3670
C2	1.5372		2.6011	2.3446	2.3446	1.3433	3.7453	1.3446	1.3446	2.9809	2.9809
C3	1.5372	2.6011		2.3446	2.3446	3.7453	1.3433	2.9809	2.9809	1.3446	1.3446
F4	1.3595	2.3446	2.3446		2.2209	2.7090	2.7090	2.7435	3.5198	3.5198	2.7435
F5	1.3595	2.3446	2.3446	2.2209		2.7090	2.7090	3.5198	2.7435	2.7435	3.5198
F6	2.3497	1.3433	3.7453	2.7090	2.7090		4.6992	2.1892	2.1892	4.1928	4.1928
F7	2.3497	3.7453	1.3433	2.7090	2.7090	4.6992		4.1928	4.1928	2.1892	2.1892
F8	2.3670	1.3446	2.9809	2.7435	3.5198	2.1892	4.1928		2.1894	3.4925	2.7211
F9	2.3670	1.3446	2.9809	3.5198	2.7435	2.1892	4.1928	2.1894		2.7211	3.4925
F10	2.3670	2.9809	1.3446	3.5198	2.7435	4.1928	2.1892	3.4925	2.7211		2.1894
F11	2.3670	2.9809	1.3446	2.7435	3.5198	4.1928	2.1892	2.7211	3.4925	2.1894

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.134	C1	C2	F8	110.266
C1	C2	F9	110.266	C1	C3	F7	109.134
C1	C3	F10	110.266	C1	C3	F11	110.266
C2	C1	C3	115.569	C2	C1	F4	107.913
C2	C1	F5	107.913	C3	C1	F4	107.913
C3	C1	F5	107.913	F4	C1	F5	109.528
F6	C2	F8	109.071	F6	C2	F9	109.071
F7	C3	F10	109.071	F7	C3	F11	109.071
F8	C2	F9	109.007	F10	C3	F11	109.007

All results from a given calculation for C₃F₈ (perfluoropropane)

using model chemistry: MP4/6-31G*

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 C3F8 (perfluoropropane)

using model chemistry: MP4/6-31G*

States and conformations

All results from a given calculation for C₃F₈ (perfluoropropane)