Wat.g09

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  1. hf/sto-3g opt=(MaxCycle=50)


water dimer

0 1
o -1.239 1.280 -1.347
h -1.447 1.512 -0.417
h -0.355 1.683 -1.476
o -1.313 -1.454 -1.717
h -0.571 -1.743 -1.147
h -1.291 -0.479 -1.597

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