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	hartrees
Energy at 0K	-711.989612
Energy at 298.15K
HF Energy	-710.453223
Nuclear repulsion energy	519.211129

Atom	x (Å)	y (Å)	z (Å)
C1	-0.023	1.404	0.000
C2	-0.497	0.184	0.000
C3	0.278	-1.090	0.000
F4	-0.782	2.440	0.000
F5	1.220	1.722	0.000
F6	-1.798	-0.006	0.000
F7	1.568	-0.875	0.000
F8	-0.023	-1.806	1.058
F9	-0.023	-1.806	-1.058

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3089	2.5122	1.2841	1.2827	2.2665	2.7795	3.3800	3.3800
C2	1.3089		1.4912	2.2740	2.3046	1.3150	2.3202	2.3029	2.3029
C3	2.5122	1.4912		3.6858	2.9652	2.3426	1.3070	1.3125	1.3125
F4	1.2841	2.2740	3.6858		2.1264	2.6481	4.0634	4.4412	4.4412
F5	1.2827	2.3046	2.9652	2.1264		3.4770	2.6204	3.8872	3.8872
F6	2.2665	1.3150	2.3426	2.6481	3.4770		3.4763	2.7407	2.7407
F7	2.7795	2.3202	1.3070	4.0634	2.6204	3.4763		2.1251	2.1251
F8	3.3800	2.3029	1.3125	4.4412	3.8872	2.7407	2.1251		2.1154
F9	3.3800	2.3029	1.3125	4.4412	3.8872	2.7407	2.1251	2.1154

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: CISD/6-311+G(3df,2p)

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 C3F6 (hexafluoropropene)

using model chemistry: CISD/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)