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	hartrees
Energy at 0K	-437.986260
Energy at 298.15K	-437.986596
Nuclear repulsion energy	43.042214

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.622
F2	0.000	0.000	-1.037

	P1	F2
P1		1.6597
F2	1.6597

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

using model chemistry: CID/3-21G

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

using model chemistry: CID/3-21G

States and conformations

State 1 (3Σ)

State 2 (1Δ)

State 1 (³Σ)

State 2 (¹Δ)