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	hartrees
Energy at 0K	-491.508762
Energy at 298.15K	-491.509909
HF Energy	-491.341807
Nuclear repulsion energy	97.277318

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1036	984	1.64
2	A₁	391	371	27.92
3	B₂	1344	1275	98.54

Atom	y (Å)	z (Å)
P1	0.000	0.302
O2	1.375	-0.283
O3	-1.375	-0.283

	P1	O2	O3
P1		1.4947	1.4947
O2	1.4947		2.7510
O3	1.4947	2.7510

Number	Element	Mulliken
1	P	0.956
2	O	-0.478
3	O	-0.478

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

using model chemistry: B2PLYP/6-31G*

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>	47.700
(<r²>)^1/2	6.907

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

using model chemistry: B2PLYP/6-31G*

States and conformations

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