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	hartrees
Energy at 0K	-712.141118
Energy at 298.15K
HF Energy	-710.454714
Nuclear repulsion energy	508.573575

Atom	x (Å)	y (Å)	z (Å)
C1	-0.023	1.427	0.000
C2	-0.503	0.180	0.000
C3	0.280	-1.104	0.000
F4	-0.806	2.486	0.000
F5	1.251	1.751	0.000
F6	-1.836	-0.009	0.000
F7	1.600	-0.882	0.000
F8	-0.023	-1.841	1.083
F9	-0.023	-1.841	-1.083

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3360	2.5490	1.3171	1.3152	2.3123	2.8224	3.4427	3.4427
C2	1.3360		1.5037	2.3260	2.3549	1.3464	2.3559	2.3425	2.3425
C3	2.5490	1.5037		3.7507	3.0157	2.3827	1.3388	1.3450	1.3450
F4	1.3171	2.3260	3.7507		2.1849	2.6989	4.1393	4.5287	4.5287
F5	1.3152	2.3549	3.0157	2.1849		3.5536	2.6558	3.9624	3.9624
F6	2.3123	1.3464	2.3827	2.6989	3.5536		3.5454	2.7958	2.7958
F7	2.8224	2.3559	1.3388	4.1393	2.6558	3.5454		2.1749	2.1749
F8	3.4427	2.3425	1.3450	4.5287	3.9624	2.7958	2.1749		2.1669
F9	3.4427	2.3425	1.3450	4.5287	3.9624	2.7958	2.1749	2.1669

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.587	C1	C2	F6	119.085
C2	C1	F4	122.493	C2	C1	F5	125.304
C2	C3	F7	111.825	C2	C3	F8	110.507
C2	C3	F9	110.507	C3	C2	F6	113.327
F4	C1	F5	112.203	F7	C3	F8	108.265
F7	C3	F9	108.265	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: MP4/TZVP

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: MP4/TZVP

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)