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	hartrees
Energy at 0K	-417.116052
Energy at 298.15K	-417.117488
HF Energy	-417.116052
Nuclear repulsion energy	48.850951

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1989	1973	360.87
2	A'	1134	1124	37.74
3	A'	976	968	34.74

Atom	x (Å)	y (Å)
P1	0.059	-0.483
O2	0.059	1.020
H3	-1.361	-0.918

	P1	O2	H3
P1		1.5023	1.4853
O2	1.5023		2.4023
H3	1.4853	2.4023

Number	Element	Mulliken
1	P	0.495
2	O	-0.409
3	H	-0.086

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

using model chemistry: BLYP/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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	-0.246	-1.980	0.000	1.995
CHELPG
AIM
ESP

	x	y	z
x	3.394	0.576	0.000
y	0.576	3.750	0.000
z	0.000	0.000	2.244

<r²>	26.571
(<r²>)^1/2	5.155