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	hartrees
Energy at 0K	-489.112319
Energy at 298.15K	-489.113395
Nuclear repulsion energy	92.848679

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	965	921	0.04
2	A₁	368	351	18.01
3	B₂	988	944	0.02

Atom	y (Å)	z (Å)
P1	0.000	0.388
O2	1.384	-0.364
O3	-1.384	-0.364

	P1	O2	O3
P1		1.5754	1.5754
O2	1.5754		2.7685
O3	1.5754	2.7685

Number	Element	Mulliken
1	P	0.999
2	O	-0.500
3	O	-0.500

All results from a given calculation for PO₂ (Phosphorus dioxide)

using model chemistry: mPW1PW91/3-21G

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>	50.034
(<r²>)^1/2	7.073

All results from a given calculation for PO2 (Phosphorus dioxide)

using model chemistry: mPW1PW91/3-21G

States and conformations

All results from a given calculation for PO₂ (Phosphorus dioxide)