BSSE solv nobasis.in

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%nproc=4

#p b3lyp/gen 6d scrf=(SMD,solvent=water)

Calculation of 1 water molecule (fragment 1) of the water dimer with no basis sets of fragment 2

0 1

8           0       -1.469048    0.100428    0.062886
1           0       -0.487284    0.020075    0.021739
1           0       -1.802445   -0.689028   -0.394372
O-Bq           0        1.339215   -0.059359   -0.102024
H-Bq           0        1.651237   -0.508331    0.702361
H-Bq           0        1.677156    0.848729   -0.016626

1 2 3 0

6-31+g*

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