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	hartrees
Energy at 0K	-711.964130
Energy at 298.15K
HF Energy	-710.267666
Nuclear repulsion energy	505.648148

Atom	x (Å)	y (Å)	z (Å)
C1	-0.024	1.434	0.000
C2	-0.503	0.177	0.000
C3	0.283	-1.106	0.000
F4	-0.815	2.499	0.000
F5	1.259	1.766	0.000
F6	-1.844	-0.018	0.000
F7	1.612	-0.882	0.000
F8	-0.024	-1.850	1.090
F9	-0.024	-1.850	-1.090

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3457	2.5587	1.3266	1.3247	2.3284	2.8352	3.4602	3.4602
C2	1.3457		1.5045	2.3429	2.3728	1.3545	2.3651	2.3506	2.3506
C3	2.5587	1.5045		3.7684	3.0335	2.3884	1.3479	1.3546	1.3546
F4	1.3266	2.3429	3.7684		2.1996	2.7190	4.1615	4.5526	4.5526
F5	1.3247	2.3728	3.0335	2.1996		3.5788	2.6712	3.9885	3.9885
F6	2.3284	1.3545	2.3884	2.7190	3.5788		3.5616	2.8026	2.8026
F7	2.8352	2.3651	1.3479	4.1615	2.6712	3.5616		2.1909	2.1909
F8	3.4602	2.3506	1.3546	4.5526	3.9885	2.8026	2.1909		2.1797
F9	3.4602	2.3506	1.3546	4.5526	3.9885	2.8026	2.1909	2.1797

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.635	C1	C2	F6	119.151
C2	C1	F4	122.499	C2	C1	F5	125.380
C2	C3	F7	111.908	C2	C3	F8	110.490
C2	C3	F9	110.490	C3	C2	F6	113.214
F4	C1	F5	112.121	F7	C3	F8	108.331
F7	C3	F9	108.331	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: CCSD(T)=FULL/aug-cc-pVDZ

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: CCSD(T)=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)