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	hartrees
Energy at 0K	-2267.025904
Energy at 298.15K	-2267.026266
HF Energy	-2267.025904
Nuclear repulsion energy	98.582230

Atom	x (Å)	y (Å)	z (Å)
Ga1	0.000	0.000	0.814
P2	0.000	0.000	-1.682

	Ga1	P2
Ga1		2.4961
P2	2.4961

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Ga	0.279
2	P	-0.279

	x	y	z	Total
	0.000	0.000	1.172	1.172
CHELPG
AIM
ESP

All results from a given calculation for GaP (Gallium monophosphide)

using model chemistry: B97D3/6-311+G(3df,2p)

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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<r²>	82.661
(<r²>)^1/2	9.092