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	hartrees
Energy at 0K	-439.793975
Energy at 298.15K	-439.794305
Nuclear repulsion energy	44.600677

	hartrees
Energy at 0K	-439.749327
Energy at 298.15K	-439.749659
Nuclear repulsion energy	44.690033

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.599
F2	0.000	0.000	-0.999

	P1	F2
P1		1.5985
F2	1.5985

Number	Element	Mulliken	CHELPG	AIM	ESP
1	P	0.179
2	F	-0.179

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

using model chemistry: LSDA/cc-pVTZ

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>	25.657
(<r²>)^1/2	5.065

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

using model chemistry: LSDA/cc-pVTZ

States and conformations

State 1 (3Σ)

State 2 (1Δ)

State 1 (³Σ)

State 2 (¹Δ)