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	hartrees
Energy at 0K	-668.051761
Energy at 298.15K
HF Energy	-668.051761
Nuclear repulsion energy	130.349301

Atom	x (Å)	y (Å)	z (Å)
Ge1	0.000	0.000	-1.104
Se2	0.000	0.000	1.039

	Ge1	Se2
Ge1		2.1435
Se2	2.1435

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Ge	0.246
2	Se	-0.246

	x	y	z	Total
	0.000	0.000	-1.926	1.926
CHELPG
AIM
ESP

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

using model chemistry: B3PW91/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>	74.099
(<r²>)^1/2	8.608