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	hartrees
Energy at 0K	-4478.874427
Energy at 298.15K
HF Energy	-4478.874427
Nuclear repulsion energy	269.270163

Atom	x (Å)	y (Å)	z (Å)
Ge1	0.000	0.000	-1.101
Se2	0.000	0.000	1.037

	Ge1	Se2
Ge1		2.1382
Se2	2.1382

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Ge	0.311
2	Se	-0.311

	x	y	z	Total
	0.000	0.000	-1.881	1.881
CHELPG
AIM
ESP

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

using model chemistry: mPW1PW91/6-311+G(3df,2p)

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>	97.192
(<r²>)^1/2	9.859