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	hartrees
Energy at 0K	-417.126848
Energy at 298.15K	-417.128299
Nuclear repulsion energy	49.203262

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2116	2028	278.18
2	A'	1195	1145	52.57
3	A'	998	957	22.87

Atom	x (Å)	y (Å)
P1	0.060	-0.488
O2	0.060	1.022
H3	-1.376	-0.853

	P1	O2	H3
P1		1.5101	1.4810
O2	1.5101		2.3610
H3	1.4810	2.3610

Number	Element	Mulliken
1	P	0.418
2	O	-0.368
3	H	-0.049

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

using model chemistry: mPW1PW91/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
	-0.271	-2.231	0.000	2.248
CHELPG
AIM
ESP

<r²>	26.226
(<r²>)^1/2	5.121