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	hartrees
Energy at 0K	-594.121148
Energy at 298.15K
HF Energy	-594.109479
Nuclear repulsion energy	4.774842

Atom	x (Å)	y (Å)	z (Å)
K1	0.000	0.000	0.105
H2	0.000	0.000	-2.000

	K1	H2
K1		2.1057
H2	2.1057

All results from a given calculation for KH (Potassium hydride)

using model chemistry: B2PLYP=FULLultrafine/STO-3G

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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