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	hartrees
Energy at 0K	-712.439917
Energy at 298.15K
HF Energy	-710.499916
Nuclear repulsion energy	512.636308

Atom	x (Å)	y (Å)	z (Å)
C1	-0.023	1.418	0.000
C2	-0.501	0.181	0.000
C3	0.280	-1.099	0.000
F4	-0.796	2.469	0.000
F5	1.239	1.741	0.000
F6	-1.821	-0.008	0.000
F7	1.587	-0.880	0.000
F8	-0.023	-1.828	1.073
F9	-0.023	-1.828	-1.073

	C1	C2	C3	F4	F5	F6	F7	F8	F9
C1		1.3261	2.5348	1.3051	1.3032	2.2948	2.8052	3.4180	3.4180
C2	1.3261		1.4992	2.3072	2.3376	1.3338	2.3420	2.3266	2.3266
C3	2.5348	1.4992		3.7268	2.9980	2.3678	1.3257	1.3316	1.3316
F4	1.3051	2.3072	3.7268		2.1618	2.6805	4.1101	4.4956	4.4956
F5	1.3032	2.3376	2.9980	2.1618		3.5253	2.6437	3.9347	3.9347
F6	2.2948	1.3338	2.3678	2.6805	3.5253		3.5184	2.7744	2.7744
F7	2.8052	2.3420	1.3257	4.1101	2.6437	3.5184		2.1546	2.1546
F8	3.4180	2.3266	1.3316	4.4956	3.9347	2.7744	2.1546		2.1452
F9	3.4180	2.3266	1.3316	4.4956	3.9347	2.7744	2.1546	2.1452

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	127.476	C1	C2	F6	119.255
C2	C1	F4	122.534	C2	C1	F5	125.512
C2	C3	F7	111.856	C2	C3	F8	110.404
C2	C3	F9	110.404	C3	C2	F6	113.268
F4	C1	F5	111.953	F7	C3	F8	108.357
F7	C3	F9	108.357	F8	C3	F8	0.000

All results from a given calculation for C₃F₆ (hexafluoropropene)

using model chemistry: CCSD/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for C₃F₆ (hexafluoropropene)