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	hartrees
Energy at 0K	-711.978634
Energy at 298.15K
HF Energy	-710.265847
Nuclear repulsion energy	504.593030

Atom	x (Å)	y (Å)	z (Å)
C1	-0.024	1.435	0.000
C2	-0.503	0.176	0.000
C3	0.282	-1.106	0.000
F4	-0.818	2.502	0.000
F5	1.261	1.769	0.000
F6	-1.847	-0.019	0.000
F7	1.616	-0.881	0.000
F8	-0.024	-1.854	1.093
F9	-0.024	-1.854	-1.093

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3476	2.5597	1.3301	1.3281	2.3323	2.8380	3.4661	3.4661
C2	1.3476		1.5033	2.3477	2.3775	1.3582	2.3678	2.3545	2.3545
C3	2.5597	1.5033		3.7723	3.0372	2.3911	1.3522	1.3593	1.3593
F4	1.3301	2.3477	3.7723		2.2053	2.7230	4.1679	4.5608	4.5608
F5	1.3281	2.3775	3.0372	2.2053		3.5864	2.6737	3.9966	3.9966
F6	2.3323	1.3582	2.3911	2.7230	3.5864		3.5687	2.8082	2.8082
F7	2.8380	2.3678	1.3522	4.1679	2.6737	3.5687		2.1976	2.1976
F8	3.4661	2.3545	1.3593	4.5608	3.9966	2.8082	2.1976		2.1858
F9	3.4661	2.3545	1.3593	4.5608	3.9966	2.8082	2.1976	2.1858

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.672	C1	C2	F6	119.071
C2	C1	F4	122.501	C2	C1	F5	125.379
C2	C3	F7	111.927	C2	C3	F8	110.574
C2	C3	F9	110.574	C3	C2	F6	113.257
F4	C1	F5	112.120	F7	C3	F8	108.285
F7	C3	F9	108.285	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: MP4=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: MP4=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)