%nprocshared=4
%mem=7000MB
%NoSave
%Chk=chk.chk
%rwf=/tmp/pbs.5095257.cx1/rwf
# opt b3lyp/lanl2dz geom=connectivity int=ultrafine scf=conver=9

trans optimisation

0 1
 Mo                0         0.00000000      0.00000100      0.00000000
 P                 0                 X1     -0.02027592      0.00095660
 P                 0                 X2              Y1     -0.00095741
 Cl                0                 X3              Y2              Z1
 Cl                0                 X4              Y3              Z2
 Cl                0                 X5              Y4              Z3
 Cl                0                 X6              Y5              Z4
 Cl                0                 X7              Y6              Z5
 Cl                0                 X8              Y7              Z6
 C                 0                 X9              Y8              Z7
 C                 0                X10              Y9              Z8
 C                 0                X11             Y10              Z9
 C                 0                X12             Y11             Z10
 O                 0                X13             Y12             Z11
 O                 0                X14             Y13             Z12
 O                 0                X15             Y14             Z13
 O                 0                X16             Y15             Z14

   X1            -2.48059500
   X2             2.48059500
   X3            -3.68353256
   X4            -3.69401658
   X5            -3.63469533
   X6             3.69780060
   X7             3.67849121
   X8             3.63595292
   X9            -0.04083244
   X10           -0.03028431
   X11            0.04083344
   X12            0.03028532
   X13            0.06120449
   X14           -0.04554483
   X15            0.04553983
   X16           -0.06120649
   Y1             0.02027503
   Y2            -1.84412640
   Y3             0.06140921
   Y4             1.77031027
   Y5             0.04802326
   Y6             1.79200384
   Y7            -1.82336459
   Y8             1.84580179
   Y9             1.01991373
   Y10           -1.84580048
   Y11           -1.01991542
   Y12           -2.89043110
   Y13            1.59792791
   Y14           -1.59792468
   Y15            2.89043102
   Z1             1.00224811
   Z2            -2.07205910
   Z3             1.11453941
   Z4            -2.07308552
   Z5             1.09561984
   Z6             1.02097722
   Z7            -1.01853312
   Z8             1.84522295
   Z9             1.01853189
   Z10           -1.84522087
   Z11            1.59340822
   Z12            2.88819624
   Z13           -2.88819692
   Z14           -1.59341192

 1 2 1.0 3 1.0 10 1.0 11 1.0 12 1.0 13 1.0
 2 6 1.0 4 1.0 5 1.0
 3 8 1.0 9 1.0 7 1.0
 4
 5
 6
 7
 8
 9
 10 17 2.0
 11 15 2.0
 12 14 2.0
 13 16 2.0
 14
 15
 16
 17