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	hartrees
Energy at 0K	-435.682576
Energy at 298.15K	-435.682896
Nuclear repulsion energy	42.760342

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.627
F2	0.000	0.000	-1.044

	P1	F2
P1		1.6707
F2	1.6707

Number	Element	Mulliken	CHELPG	AIM	ESP
1	P	0.116
2	F	-0.116

	x	y	z	Total
	0.000	0.000	-0.045	0.045
CHELPG
AIM
ESP

All results from a given calculation for PF (phosphorus monofluoride)

using model chemistry: BLYP/STO-3G

States and conformations

State 1 (³Σ)

State 2 (¹Δ)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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<r²>	24.766
(<r²>)^1/2	4.977

All results from a given calculation for PF (phosphorus monofluoride)

using model chemistry: BLYP/STO-3G

States and conformations

State 1 (3Σ)

State 2 (1Δ)

State 1 (³Σ)

State 2 (¹Δ)