%nproc=12
%mem=20GB
#p wb97xd opt freq=noraman genecp 6d scrf=(smd,solvent=methanol) nosymm CPHF=(maxinv=12000,conver=7)

asdasfh

1 1
 Ir                -1.54124800   -0.61809200    2.06955900
 N                 -2.55617500   -2.41598700    1.97825000
 C                 -2.66809200   -3.02243900    3.14374900
 C                 -2.21918800   -2.31495900    4.32612500
 C                 -1.69110600   -1.03423800    4.02641500
 C                 -1.28563600   -0.25726500    5.12352000
 H                 -0.87963900    0.73939900    4.96234300
 C                 -1.38685100   -0.73670600    6.42845000
 C                 -1.90076000   -2.01230400    6.69036400
 H                 -1.97479900   -2.37666600    7.71102600
 C                 -2.32137000   -2.80744900    5.63312100
 H                 -2.72940800   -3.79685700    5.82989600
 C                 -4.51295200    0.12495500    2.05390300
 H                 -4.75942600   -0.93041500    1.96139100
 C                 -5.54716200    1.05758100    2.07020600
 H                 -6.57691900    0.71609000    1.99068800
 C                 -5.28470400    2.42873200    2.18797800
 H                 -6.10003100    3.14632300    2.19855600
 C                 -3.97101500    2.86251700    2.29221800
 H                 -3.75723200    3.92556200    2.38632400
 C                 -2.93666700    1.91800200    2.27502600
 C                 -1.52851500    2.23121800    2.37886500
 H                 -1.06322900   -0.11049000    7.25690500
 S                 -3.40827700   -4.58872000    3.07465100
 C                 -3.10467200   -3.15984300    0.93656800
 C                 -3.21810300   -2.77132400   -0.40130100
 C                 -3.60120800   -4.40412600    1.34765500
 C                 -3.78294100   -3.64220500   -1.32346600
 H                 -2.86410100   -1.79785100   -0.71476100
 C                 -4.17215500   -5.29211100    0.43553200
 C                 -4.24834700   -4.90167000   -0.89273300
 H                 -4.55064800   -6.25864900    0.75452800
 H                 -4.68391000   -5.58327000   -1.61966200
 C                 -3.87462900   -3.26033200   -2.77800100
 H                 -4.89784100   -3.36978300   -3.15509600
 H                 -3.55863100   -2.22441900   -2.93691000
 H                 -3.23259300   -3.90599000   -3.38977900
 C                 -3.16782000    0.52333800    2.14798400
 N                 -0.67688800    1.22610100    2.34276600
 S                 -0.79302400    3.78910700    2.57950500
 C                  0.64300000    1.63386300    2.50126200
 C                  1.76327200    0.80112500    2.55852800
 C                  0.77932100    3.02207500    2.63814000
 C                  3.02043400    1.36777800    2.74060800
 H                  1.63213900   -0.27295400    2.47013800
 C                  2.03298200    3.60530000    2.81409200
 C                  3.13856600    2.76744800    2.86067300
 H                  2.14578100    4.67968200    2.92307100
 H                  4.12344800    3.20514400    3.00420700
 C                  4.25084500    0.49920200    2.79300200
 H                  4.00502300   -0.51664100    3.11652100
 H                  4.72223200    0.43070900    1.80464400
 H                  4.99519200    0.90893000    3.48390000
 C                 -1.75662314    0.27360015   -0.88830161
 C                 -0.13564914   -1.38124485   -0.48296461
 C                 -1.45720314    0.32702115   -2.23700061
 H                 -2.53229914    0.90262915   -0.46153961
 C                  0.19030386   -1.38620385   -1.86363761
 C                 -0.46855014   -0.54274085   -2.72938561
 H                 -1.98978914    1.01364215   -2.88579361
 H                  0.95686686   -2.05266985   -2.24125961
 H                 -0.22039614   -0.54896585   -3.78700761
 C                  0.51730386   -2.15573585    0.52738139
 O                  0.14422086   -2.03132885    1.76883839
 C                  1.64401286   -3.06746785    0.24553539
 C                  2.72481686   -3.09843785    1.29914839
 H                  2.31855286   -3.26905285    2.29893439
 H                  3.47831286   -3.85996585    1.07967339
 H                  3.23017086   -2.12559185    1.30196839
 N                 -1.14579314   -0.56280385   -0.03655961
 H                  2.05326986   -2.96923085   -0.75914761
 C                  1.01980700   -4.69701500    0.11346300
 Cl                 0.44269300   -5.26754600    1.69364600
 Cl                -0.31163400   -4.71301100   -1.06005900
 Cl                 2.34798500   -5.74225900   -0.46499300

-Ir 0
lanl2dz
F 1 1.0
0.9380000              1.0000000
 ****
 C H N S O Cl
6-31+g(d)
******

-Ir 0
lanl2dz






















