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	hartrees
Energy at 0K	-4477.943771
Energy at 298.15K
HF Energy	-4477.777358
Nuclear repulsion energy	267.522523

Atom	x (Å)	y (Å)	z (Å)
Ge1	0.000	0.000	-1.109
Se2	0.000	0.000	1.043

	Ge1	Se2
Ge1		2.1521
Se2	2.1521

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Ge	0.148
2	Se	-0.148

	x	y	z	Total
	0.000	0.000	-1.737	1.737
CHELPG
AIM
ESP

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

using model chemistry: B2PLYP=FULLultrafine/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>	98.470
(<r²>)^1/2	9.923