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	hartrees
Energy at 0K	-667.953544
Energy at 298.15K
HF Energy	-667.953544
Nuclear repulsion energy	129.653504

Atom	x (Å)	y (Å)	z (Å)
Ge1	0.000	0.000	-1.110
Se2	0.000	0.000	1.045

	Ge1	Se2
Ge1		2.1550
Se2	2.1550

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Ge	0.264
2	Se	-0.264

	x	y	z	Total
	0.000	0.000	-1.957	1.957
CHELPG
AIM
ESP

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

using model chemistry: B3LYPultrafine/cc-pVTZ-PP

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>	74.832
(<r²>)^1/2	8.651