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	hartrees
Energy at 0K	-417.156842
Energy at 298.15K	-417.158284
HF Energy	-417.156842
Nuclear repulsion energy	49.451749

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1998	1970	295.32
2	A'	1169	1153	51.99
3	A'	968	955	19.94

Atom	x (Å)	y (Å)
P1	0.060	-0.485
O2	0.060	1.016
H3	-1.377	-0.856

	P1	O2	H3
P1		1.5009	1.4837
O2	1.5009		2.3600
H3	1.4837	2.3600

Number	Element	Mulliken
1	P	0.422
2	O	-0.363
3	H	-0.059

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

using model chemistry: B97D3/cc-pVTZ

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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	x	y	z	Total
	-0.257	-2.097	0.000	2.113
CHELPG
AIM
ESP

	x	y	z
x	4.207	0.498	0.000
y	0.498	4.179	0.000
z	0.000	0.000	2.745

<r²>	26.208
(<r²>)^1/2	5.119