COMMENT ****** POTENTIAL
NTIP 4

COMMENT ****** GENERAL
CENTRE
EDIFF 1.D-3
SLOPPYCONV 1.D-3
TIGHTCONV 1.D-3
MAXIT 1.D4 1.D4
FIXBOTH
RANSEED 100

COMMENT ****** SIZE
RADIUS 1.D1
MAXBFGS 5.D-1
MAXERISE 1.D-4
TARGET -628.3734D0
SAVE 1

COMMENT ****** RUN
STEPS     1.D7
TBP -628.4 0.5 200 0.003 0.001 20
STEP 0.D0 0.D0 1.44D0
TEMPERATURE 3.18D0