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	hartrees
Energy at 0K	-540.826213
Energy at 298.15K
HF Energy	-540.656478
Nuclear repulsion energy	104.136182

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	819	819	117.80	9.99	0.30	0.46
2	A₁	322	322	6.93	0.99	0.58	0.73
3	B₂	800	800	181.09	7.70	0.75	0.86

Atom	y (Å)	z (Å)
P1	0.000	0.589
F2	1.241	-0.491
F3	-1.241	-0.491

	P1	F2	F3
P1		1.6449	1.6449
F2	1.6449		2.4815
F3	1.6449	2.4815

Number	Element	Mulliken
1	P	0.962
2	F	-0.481
3	F	-0.481

All results from a given calculation for PF₂ (Phosphorus difluoride)

using model chemistry: B2PLYP/aug-cc-pVDZ

States and conformations

	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>	51.763
(<r²>)^1/2	7.195

All results from a given calculation for PF2 (Phosphorus difluoride)

using model chemistry: B2PLYP/aug-cc-pVDZ

States and conformations

All results from a given calculation for PF₂ (Phosphorus difluoride)