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(T)/aug-cc-pVTZ

States and conformations

Geometric Data calculated at CCSD(T)/aug-cc-pVTZ

Point Group is C_s

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
P1	-0.022	0.117	0.000
C2	-0.492	1.668	0.000
F3	1.457	-0.405	0.000
F4	-0.492	-0.696	1.231
F5	-0.492	-0.696	-1.231
H6	-0.490	2.203	-0.938
H7	-0.490	2.203	0.938

Atom - Atom Distances (Å)

	P1	C2	F3	F4	F5	H6	H7
P1		1.6204	1.5692	1.5484	1.5484	2.3340	2.3340
C2	1.6204		2.8453	2.6652	2.6652	1.0797	1.0797
F3	1.5692	2.8453		2.3240	2.3240	3.3866	3.3866
F4	1.5484	2.6652	2.3240		2.4630	3.6204	2.9131
F5	1.5484	2.6652	2.3240	2.4630		2.9131	3.6204
H6	2.3340	1.0797	3.3866	3.6204	2.9131		1.8760
H7	2.3340	1.0797	3.3866	2.9131	3.6204	1.8760

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
P1	C2	H6	118.254		P1	C2	H7	118.254
C2	P1	F3	126.258		C2	P1	F4	114.495
C2	P1	F5	114.495		F3	P1	F4	96.393
F3	P1	F5	96.393		F4	P1	F5	105.377
H6	C2	H7	120.634