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 PF₃CH₂ (phosphorane, trifluoromethylene-)

using model chemistry: CCSD=FULL/aug-cc-pVTZ

States and conformations

Geometric Data calculated at CCSD=FULL/aug-cc-pVTZ

Point Group is C_s

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
P1	-0.023	0.115	0.000
C2	-0.486	1.656	0.000
F3	1.449	-0.392	0.000
F4	-0.486	-0.695	1.223
F5	-0.486	-0.695	-1.223
H6	-0.509	2.187	-0.932
H7	-0.509	2.187	0.932

Atom - Atom Distances (Å)

	P1	C2	F3	F4	F5	H6	H7
P1		1.6089	1.5566	1.5376	1.5376	2.3236	2.3236
C2	1.6089		2.8172	2.6491	2.6491	1.0730	1.0730
F3	1.5566	2.8172		2.3087	2.3087	3.3695	3.3695
F4	1.5376	2.6491	2.3087		2.4451	3.5981	2.8965
F5	1.5376	2.6491	2.3087	2.4451		2.8965	3.5981
H6	2.3236	1.0730	3.3695	3.5981	2.8965		1.8635
H7	2.3236	1.0730	3.3695	2.8965	3.5981	1.8635

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
P1	C2	H6	118.727		P1	C2	H7	118.727
C2	P1	F3	125.734		C2	P1	F4	114.670
C2	P1	F5	114.670		F3	P1	F4	96.513
F3	P1	F5	96.513		F4	P1	F5	105.325
H6	C2	H7	120.537