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	hartrees
Energy at 0K	-4478.676016
Energy at 298.15K
HF Energy	-4478.676016
Nuclear repulsion energy	266.229370

Atom	x (Å)	y (Å)	z (Å)
Ge1	0.000	0.000	-1.114
Se2	0.000	0.000	1.049

	Ge1	Se2
Ge1		2.1626
Se2	2.1626

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Ge	0.292
2	Se	-0.292

	x	y	z	Total
	0.000	0.000	-2.017	2.017
CHELPG
AIM
ESP

All results from a given calculation for GeSe (Germanium monoselenide)

using model chemistry: B3LYPultrafine/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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<r²>	99.025
(<r²>)^1/2	9.951