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	hartrees
Energy at 0K	-417.128049
Energy at 298.15K	-417.129482
Nuclear repulsion energy	48.769374

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2002	1991	324.55
2	A'	1118	1112	55.50
3	A'	959	954	31.70

Atom	x (Å)	y (Å)
P1	0.060	-0.493
O2	0.060	1.032
H3	-1.382	-0.859

	P1	O2	H3
P1		1.5245	1.4880
O2	1.5245		2.3781
H3	1.4880	2.3781

Number	Element	Mulliken
1	P	0.539
2	O	-0.461
3	H	-0.078

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

using model chemistry: BLYP/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	Total
	-0.340	-2.434	0.000	2.458
CHELPG
AIM
ESP

<r²>	26.990
(<r²>)^1/2	5.195