%nprocshared=2
%mem=3600MB
%NoSave
%Chk=chk.chk
%rwf=/tmp/pbs.3047036.cx1/rwf

# opt b3lyp/lanl2dz geom=connectivity int=ultrafine scf=conver=9

cisMo(CO)4(PCl3)2_1 optimisation

0 1
 Mo                 0.00368800    1.03547400   -0.00001000
 C                  0.00063300    1.06775000    2.10785000
 C                  0.00033600    1.06774900   -2.10786900
 C                  1.36789600    2.57946300   -0.00011800
 C                 -1.47260900    2.47361700    0.00010700
 O                  2.12187500    3.50599700   -0.00019000
 O                 -2.29710600    3.33818700    0.00017500
 O                 -0.00060200    1.12727900   -3.29908600
 O                 -0.00015500    1.12726400    3.29906800
 P                 -1.85557643   -0.68923667    0.01623902
 P                  1.89981837   -0.63052017    0.00010517
 Cl                 2.83710486   -1.45469936   -2.06150252
 Cl                 1.10199263   -2.77196805    0.76540160
 Cl                 3.22829886    0.75231095    1.45987271
 Cl                -1.12603166   -2.30541739   -1.61085226
 Cl                -3.46509855   -0.53746909   -1.77105188
 Cl                -2.53317024   -1.42836184    2.20771437

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