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	hartrees
Energy at 0K	-440.835546
Energy at 298.15K	-440.835836
Nuclear repulsion energy	41.016697

	hartrees
Energy at 0K	-440.783895
Energy at 298.15K	-440.784186
Nuclear repulsion energy	41.053189

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.653
F2	0.000	0.000	-1.088

	P1	F2
P1		1.7402
F2	1.7402

Number	Element	Mulliken	CHELPG	AIM	ESP
1	P	0.327
2	F	-0.327

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

using model chemistry: PBEPBE/6-31G

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>	28.279
(<r²>)^1/2	5.318

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

using model chemistry: PBEPBE/6-31G

States and conformations

State 1 (3Σ)

State 2 (1Δ)

State 1 (³Σ)

State 2 (¹Δ)