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	hartrees
Energy at 0K	-712.425007
Energy at 298.15K
HF Energy	-710.500418
Nuclear repulsion energy	513.155179

Atom	x (Å)	y (Å)	z (Å)
C1	-0.023	1.416	0.000
C2	-0.501	0.181	0.000
C3	0.280	-1.099	0.000
F4	-0.795	2.467	0.000
F5	1.238	1.740	0.000
F6	-1.820	-0.007	0.000
F7	1.585	-0.880	0.000
F8	-0.023	-1.826	1.071
F9	-0.023	-1.826	-1.071

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3246	2.5335	1.3037	1.3018	2.2922	2.8036	3.4149	3.4149
C2	1.3246		1.4996	2.3046	2.3353	1.3319	2.3409	2.3249	2.3249
C3	2.5335	1.4996		3.7244	2.9959	2.3666	1.3237	1.3297	1.3297
F4	1.3037	2.3046	3.7244		2.1592	2.6778	4.1071	4.4915	4.4915
F5	1.3018	2.3353	2.9959	2.1592		3.5214	2.6425	3.9309	3.9309
F6	2.2922	1.3319	2.3666	2.6778	3.5214		3.5152	2.7721	2.7721
F7	2.8036	2.3409	1.3237	4.1071	2.6425	3.5152		2.1516	2.1516
F8	3.4149	2.3249	1.3297	4.4915	3.9309	2.7721	2.1516		2.1424
F9	3.4149	2.3249	1.3297	4.4915	3.9309	2.7721	2.1516	2.1424

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.449	C1	C2	F6	119.285
C2	C1	F4	122.529	C2	C1	F5	125.534
C2	C3	F7	111.869	C2	C3	F8	110.375
C2	C3	F9	110.375	C3	C2	F6	113.265
F4	C1	F5	111.937	F7	C3	F8	108.369
F7	C3	F9	108.369	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: CCD/Def2TZVPP

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: CCD/Def2TZVPP

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)