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	hartrees
Energy at 0K	-415.858234
Energy at 298.15K	-415.859675
HF Energy	-415.858234
Nuclear repulsion energy	49.240349

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2013	1990	265.03
2	A'	1181	1168	62.12
3	A'	958	947	22.34

Atom	x (Å)	y (Å)
P1	0.060	-0.488
O2	0.060	1.020
H3	-1.389	-0.841

	P1	O2	H3
P1		1.5074	1.4920
O2	1.5074		2.3588
H3	1.4920	2.3588

Number	Element	Mulliken
1	P	0.389
2	O	-0.359
3	H	-0.030

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

using model chemistry: SVWN/TZVP

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
	-0.349	-2.374	0.000	2.400
CHELPG
AIM
ESP

	x	y	z
x	4.093	0.591	0.000
y	0.591	4.141	0.000
z	0.000	0.000	2.244

<r²>	26.482
(<r²>)^1/2	5.146