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	hartrees
Energy at 0K	-417.142238
Energy at 298.15K	-417.143685
Nuclear repulsion energy	49.096183

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2144	2054	245.50
2	A'	1182	1132	65.78
3	A'	985	944	20.22

Atom	x (Å)	y (Å)
P1	0.060	-0.491
O2	0.060	1.024
H3	-1.376	-0.831

	P1	O2	H3
P1		1.5150	1.4760
O2	1.5150		2.3460
H3	1.4760	2.3460

Number	Element	Mulliken
1	P	0.448
2	O	-0.629
3	H	0.181

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

using model chemistry: mPW1PW91/aug-cc-pVDZ

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
	-0.448	-2.348	0.000	2.391
CHELPG
AIM
ESP

	x	y	z
x	4.496	0.329	0.000
y	0.329	4.805	0.000
z	0.000	0.000	3.289

<r²>	26.565
(<r²>)^1/2	5.154