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	hartrees
Energy at 0K	-712.396298
Energy at 298.15K
HF Energy	-710.451014
Nuclear repulsion energy	514.181292

Atom	x (Å)	y (Å)	z (Å)
C1	-0.022	1.416	0.000
C2	-0.503	0.181	0.000
C3	0.280	-1.099	0.000
F4	-0.792	2.462	0.000
F5	1.235	1.736	0.000
F6	-1.816	-0.008	0.000
F7	1.582	-0.876	0.000
F8	-0.022	-1.823	1.069
F9	-0.022	-1.823	-1.069

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3258	2.5333	1.2990	1.2970	2.2905	2.7981	3.4113	3.4113
C2	1.3258		1.5000	2.3002	2.3321	1.3272	2.3370	2.3213	2.3213
C3	2.5333	1.5000		3.7193	2.9915	2.3636	1.3202	1.3262	1.3262
F4	1.2990	2.3002	3.7193		2.1531	2.6741	4.0969	4.4836	4.4836
F5	1.2970	2.3321	2.9915	2.1531		3.5143	2.6358	3.9234	3.9234
F6	2.2905	1.3272	2.3636	2.6741	3.5143		3.5073	2.7671	2.7671
F7	2.7981	2.3370	1.3202	4.0969	2.6358	3.5073		2.1475	2.1475
F8	3.4113	2.3213	1.3262	4.4836	3.9234	2.7671	2.1475		2.1377
F9	3.4113	2.3213	1.3262	4.4836	3.9234	2.7671	2.1475	2.1377

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.296	C1	C2	F6	119.397
C2	C1	F4	122.406	C2	C1	F5	125.526
C2	C3	F7	111.768	C2	C3	F8	110.290
C2	C3	F9	110.290	C3	C2	F6	113.307
F4	C1	F5	112.068	F7	C3	F8	108.480
F7	C3	F9	108.480	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: MP3/6-311+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: MP3/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)