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	hartrees
Energy at 0K	-416.148028
Energy at 298.15K	-416.149509
Nuclear repulsion energy	51.211849

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2322	2102	294.05
2	A'	1394	1262	89.36
3	A'	1112	1007	49.24

Atom	x (Å)	y (Å)
P1	0.058	-0.467
O2	0.058	0.981
H3	-1.333	-0.846

	P1	O2	H3
P1		1.4478	1.4413
O2	1.4478		2.2958
H3	1.4413	2.2958

Number	Element	Mulliken
1	P	0.374
2	O	-0.352
3	H	-0.022

All results from a given calculation for HPO (Hydrogen phosphorus oxide)

using model chemistry: HF/6-31G(2df,p)

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	Total
	-0.469	-2.474	0.000	2.518
CHELPG
AIM
ESP

	x	y	z
x	3.440	0.399	0.000
y	0.399	3.484	0.000
z	0.000	0.000	2.630

<r²>	25.178
(<r²>)^1/2	5.018