&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME BASIS_SET
    POTENTIAL_FILE_NAME POTENTIAL
    &MGRID
      CUTOFF 200
    &END MGRID
    &QS
      EPS_DEFAULT 1.0E-8
    &END QS
    &SCF
      EPS_SCF 1.0E-4
      MAX_SCF 1
      SCF_GUESS ATOMIC
    &END SCF
    &XC
      &XC_FUNCTIONAL Pade
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 10.0 13.0 9.0
    &END CELL
    &COORD
     N  0.000000  0.000000  1.412741 PYRI
     C  0.000000  0.000000 -1.379003 PYRI
     C  0.000000  1.138967  0.719513 PYRI
     C  0.000000 -1.138967  0.719513 PYRI
     C  0.000000  1.193378 -0.669793 PYRI
     C  0.000000 -1.193378 -0.669793 PYRI
     H  0.000000  0.000000 -2.461129 PYRI
     H  0.000000  2.053434  1.302620 PYRI
     H  0.000000 -2.053434  1.302620 PYRI
     H  0.000000  2.148072 -1.177959 PYRI
     H  0.000000 -2.148072 -1.177959 PYRI
     O  4.000000    0.000000   -0.065587 H2O
     H  4.000000   -0.757136    0.520545 H2O
     H  4.000000    0.757136    0.520545 H2O
    &END COORD
    &KIND H
      BASIS_SET DZVP-GTH-PADE
      POTENTIAL GTH-PADE-q1
    &END KIND
    &KIND O
      BASIS_SET DZVP-GTH-PADE
      POTENTIAL GTH-PADE-q6
    &END KIND
    &KIND N
      BASIS_SET DZVP-GTH-PADE
      POTENTIAL GTH-PADE-q5
    &END KIND
    &KIND C
      BASIS_SET DZVP-GTH-PADE
      POTENTIAL GTH-PADE-q4
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
&GLOBAL
  PROJECT pyridine
  PRINT_LEVEL MEDIUM
&END GLOBAL
