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	hartrees
Energy at 0K	-415.854123
Energy at 298.15K	-415.855569
Nuclear repulsion energy	49.580985

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2002	1977	304.19
2	A'	1196	1181	55.00
3	A'	974	962	32.88

Atom	x (Å)	y (Å)
P1	0.060	-0.482
O2	0.060	1.013
H3	-1.381	-0.869

	P1	O2	H3
P1		1.4950	1.4924
O2	1.4950		2.3704
H3	1.4924	2.3704

Number	Element	Mulliken
1	P	0.511
2	O	-0.439
3	H	-0.072

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

using model chemistry: LSDA/6-311G**

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
	-0.242	-2.249	0.000	2.262
CHELPG
AIM
ESP

	x	y	z
x	3.881	0.654	0.000
y	0.654	3.750	0.000
z	0.000	0.000	2.143

<r²>	0.000
(<r²>)^1/2	0.000