TITLE
geometry:
CARTESIAN ANGSTROM
  I      0.0000000      0.0000000      0.0300560
  H      0.0000000      0.0000000     -1.5929450
END
INITMO      ATOMIC
METHOD      KS-DKH2
POTENTIAL   PBE
NUCLEUS     GAUSS
CHARGE      0
MULTIP      1
DMIXING     1.0D0
DIIS        ON 2 3 49
MAXITER     60
CONVERG     5.0D-6
#
SUBSTITUTE I
AO  O-I dyall_vdz
AU  A-I dyall_vdz
GR  90 ADAPTIVE
END
#
SUBSTITUTE H
AO  O-H  upcJ-1
AU  A-H  upcJ-1
GR  50 ADAPTIVE
END
#
END