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	hartrees
Energy at 0K	-4475.830606
Energy at 298.15K
HF Energy	-4475.335839
Nuclear repulsion energy	270.878456

Atom	x (Å)	y (Å)	z (Å)
Ge1	0.000	0.000	-1.095
Se2	0.000	0.000	1.031

	Ge1	Se2
Ge1		2.1255
Se2	2.1255

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

using model chemistry: CCSD=FULL/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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