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	hartrees
Energy at 0K	-417.099314
Energy at 298.15K	-417.100770
Nuclear repulsion energy	49.788522

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2096	2018	340.54
2	A'	1219	1173	60.09
3	A'	1022	983	41.46

Atom	x (Å)	y (Å)
P1	0.059	-0.481
O2	0.059	1.010
H3	-1.362	-0.864

	P1	O2	H3
P1		1.4909	1.4715
O2	1.4909		2.3516
H3	1.4715	2.3516

Number	Element	Mulliken
1	P	0.519
2	O	-0.479
3	H	-0.040

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

using model chemistry: B3PW91/6-311G*

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
	-0.265	-2.370	0.000	2.385
CHELPG
AIM
ESP

<r²>	26.103
(<r²>)^1/2	5.109