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	hartrees
Energy at 0K	-417.138179
Energy at 298.15K	-417.139630
Nuclear repulsion energy	49.520326

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2122	2037	355.34
2	A'	1204	1156	46.01
3	A'	1018	977	40.09

Atom	x (Å)	y (Å)
P1	0.059	-0.484
O2	0.059	1.016
H3	-1.358	-0.876

	P1	O2	H3
P1		1.5002	1.4699
O2	1.5002		2.3640
H3	1.4699	2.3640

Number	Element	Mulliken	CHELPG	AIM	ESP
1	P	0.537	0.298	1.648	0.282
2	O	-0.447	-0.316	-1.244	-0.306
3	H	-0.090	0.018	-0.403	0.023

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

using model chemistry: B3LYP/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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	x	y	Total
	-0.301	-2.164	2.185
CHELPG	-0.122	-2.313	2.316
AIM	-1.192	2.379	2.661
ESP	-0.157	-2.245	2.251

	x	y	z
x	3.301	0.556	-0.000
y	0.556	3.639	0.000
z	-0.000	0.000	2.234

<r²>	26.131
(<r²>)^1/2	5.112