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	hartrees
Energy at 0K	-2263.987789
Energy at 298.15K	-2263.988179
HF Energy	-2263.987789
Nuclear repulsion energy	106.107477

Atom	x (Å)	y (Å)	z (Å)
Ga1	0.000	0.000	0.756
P2	0.000	0.000	-1.563

	Ga1	P2
Ga1		2.3190
P2	2.3190

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Ga	0.282
2	P	-0.282

	x	y	z	Total
	0.000	0.000	2.771	2.771
CHELPG
AIM
ESP

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

using model chemistry: ROHF/aug-cc-pVTZ

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>	73.863
(<r²>)^1/2	8.594