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	hartrees
Energy at 0K	-755.599079
Energy at 298.15K	-755.600067
HF Energy	-755.599079
Nuclear repulsion energy	123.721272

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1269	1250	122.76
2	Σ	658	648	1.73
3	Π	175	172	2.23
3	Π	175	172	2.23

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	1.467
P2	0.000	0.000	-0.437
O3	0.000	0.000	-1.931

	P1	P2	O3
P1		1.9036	3.3982
P2	1.9036		1.4946
O3	3.3982	1.4946

Number	Element	Mulliken
1	P	0.005
2	P	0.584
3	O	-0.589

All results from a given calculation for PPO (Phosphorus oxide phosphide)

using model chemistry: SVWN/6-31+G**

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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z
x	4.360	0.000	0.002
y	0.000	4.360	-0.001
z	0.002	-0.001	12.366

<r²>	84.911
(<r²>)^1/2	9.215