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	hartrees
Energy at 0K	-415.800119
Energy at 298.15K	-415.801561
Nuclear repulsion energy	49.385089

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2023	1985	322.56
2	A'	1194	1171	42.31
3	A'	977	959	33.06

Atom	x (Å)	y (Å)
P1	0.060	-0.484
O2	0.060	1.018
H3	-1.376	-0.882

	P1	O2	H3
P1		1.5019	1.4904
O2	1.5019		2.3817
H3	1.4904	2.3817

Number	Element	Mulliken
1	P	0.451
2	O	-0.389
3	H	-0.062

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

using model chemistry: LSDA/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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	-0.323	-1.996	0.000	2.022
CHELPG
AIM
ESP

	x	y	z
x	3.435	0.581	0.000
y	0.581	3.667	0.000
z	0.000	0.000	2.232

<r²>	0.000
(<r²>)^1/2	0.000