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	hartrees
Energy at 0K	-485.750116
Energy at 298.15K	-485.750913
Nuclear repulsion energy	90.936607

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1125	1004	6.82
2	A'	691	617	2.41
3	A'	259	231	7.00

Atom	x (Å)	y (Å)
P1	0.000	0.516
O2	1.289	-0.372
O3	-1.289	-0.597

	P1	O2	O3
P1		1.5654	1.7032
O2	1.5654		2.5878
O3	1.7032	2.5878

Number	Element	Mulliken
1	P	0.524
2	O	-0.333
3	O	-0.192

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

using model chemistry: B3LYP/STO-3G

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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	x	y	z	Total
	-0.588	1.151	0.000	1.293
CHELPG
AIM
ESP

	x	y	z
x	2.972	0.224	0.000
y	0.224	1.568	0.000
z	0.000	0.000	0.866

<r²>	47.266
(<r²>)^1/2	6.875

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

using model chemistry: B3LYP/STO-3G

States and conformations

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