DEBUG

CONCUTABS 0.2 0.05
QCIRESET 2000
QCI 1.D-3 1.0 1.0 9.0 0.0 15 0 300000 1000 400000 1.0 1.5
CHECKREP 100 1.25
QCIIMAGEDENS 50.0 1
KINT 3.0
QCIADJUSTK 5 12.0 1.01 1.0 3.0
INTSPRINGACTIVE
QCIMAXACTIVE 15
INTFREEZE 0.02D0 5
MAXCON 10
QCICONCUT 50.0
QCICYCLES 0.0 200

PUSHOPT 0.1 0.001 100
BFGSTS 1000 4 10 0.01 100
BFGSTSPC 0.001

STEPS 2000
USEDIAG 2
NOHESS
BFGSSTEPS 3000
EDIFFTOL  1.0D-4
GEOMDIFFTOL  0.3D0
BFGSMIN 5.0D-5
CONVERGE 0.01 1.0D-5
UPDATES 50 50 5 5
MAXERISE 1.0D-5 0.02D0
NEBMAXERISE 1.0D-1
MAXSTEP  0.02
TRAD     0.2
MAXMAX   0.03
MINMAX 0.005
MAXBFGS 0.02 0.1

DUMPALLPATHS
PATH 100 0.00001
STEPMIN 50

! double-ended TS runtype
NEWCONNECT 30 1 15.0 15.0 1 1.0 0.0001
NEBK 10.0
ADJUSTK 20 6.0 1.03D0 5.0D0 1.0D1
REOPTIMISEENDPOINTS
DIJKSTRA 2

RADIUS 2000.0
! PERMDIST

ORCAMPI 1 1 /sharedscratch/wales/ORCA/orca

POINTS
H     2.906064167        0.4068746007        0.2605906577E-01
Pt   -0.1096171206       -0.1637716979        0.6772902404E-01
C     2.249915038       -0.4372056425        0.2015770167
N    0.1247169240         2.072898752        0.8338713569E-01
H   -0.2468513251        -1.707429253        0.4489129468E-01
N    -2.146069630       -0.1440253683        0.2179501972
H    1.907374807       -0.4335823058         1.235551783
H    2.741995947        -1.383390008        0.1489253412E-01
H   -2.563832743        0.7798631350        0.2135337525
H    1.509752635       -0.4033441056       -0.6895341255
H  -0.3631460423         2.536005236        0.8419779450
H    1.096871780         2.342850738        0.1808915236
H  -0.1967370205         2.499370466       -0.7786577746
H   -2.551006805       -0.6622182460       -0.5550131106
H   -2.437505508       -0.6070097054         1.073435737
