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	hartrees
Energy at 0K	-712.397367
Energy at 298.15K
HF Energy	-710.461954
Nuclear repulsion energy	513.624983

Atom	x (Å)	y (Å)	z (Å)
C1	-0.023	1.416	0.000
C2	-0.502	0.180	0.000
C3	0.280	-1.099	0.000
F4	-0.793	2.465	0.000
F5	1.237	1.736	0.000
F6	-1.819	-0.007	0.000
F7	1.583	-0.876	0.000
F8	-0.023	-1.825	1.070
F9	-0.023	-1.825	-1.070

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3258	2.5327	1.3018	1.3001	2.2921	2.7988	3.4127	3.4127
C2	1.3258		1.4989	2.3038	2.3340	1.3302	2.3379	2.3224	2.3224
C3	2.5327	1.4989		3.7220	2.9920	2.3658	1.3225	1.3280	1.3280
F4	1.3018	2.3038	3.7220		2.1574	2.6774	4.1004	4.4880	4.4880
F5	1.3001	2.3340	2.9920	2.1574		3.5189	2.6349	3.9256	3.9256
F6	2.2921	1.3302	2.3658	2.6774	3.5189		3.5119	2.7705	2.7705
F7	2.7988	2.3379	1.3225	4.1004	2.6349	3.5119		2.1503	2.1503
F8	3.4127	2.3224	1.3280	4.4880	3.9256	2.7705	2.1503		2.1403
F9	3.4127	2.3224	1.3280	4.4880	3.9256	2.7705	2.1503	2.1403

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.334	C1	C2	F6	119.309
C2	C1	F4	122.513	C2	C1	F5	125.459
C2	C3	F7	111.771	C2	C3	F8	110.333
C2	C3	F9	110.333	C3	C2	F6	113.357
F4	C1	F5	112.028	F7	C3	F8	108.444
F7	C3	F9	108.444	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: MP3/cc-pVTZ

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/cc-pVTZ

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)