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

asdasfh

1 1
 Ir                -1.46560070   -0.61298417    2.15401067
 N                 -2.57206093   -2.36610413    2.09581624
 C                 -2.89251325   -2.83158255    3.28823266
 C                 -2.44987643   -2.09130571    4.45141806
 C                 -1.71786292   -0.93079589    4.11309565
 C                 -1.25479107   -0.14503589    5.17506202
 H                 -0.69047401    0.76340803    4.98187525
 C                 -1.50427734   -0.50668363    6.49867180
 C                 -2.22741677   -1.66295201    6.80637728
 H                 -2.41409315   -1.93463876    7.84107987
 C                 -2.70507954   -2.46227885    5.77673191
 H                 -3.26828182   -3.36355525    6.00956891
 C                 -4.42213239    0.18497152    2.01168345
 H                 -4.68417706   -0.86090999    1.87495455
 C                 -5.44360938    1.13470602    2.02627162
 H                 -6.47474156    0.81224392    1.90403532
 C                 -5.16300323    2.49355088    2.19737104
 H                 -5.96624424    3.22432541    2.20914507
 C                 -3.84586483    2.90317426    2.35369203
 H                 -3.62045800    3.95915587    2.48636010
 C                 -2.82752266    1.94341827    2.33781867
 C                 -1.41801126    2.23708906    2.48929010
 H                 -1.13093661    0.12239990    7.30305807
 S                 -3.82578960   -4.28712342    3.27166355
 C                 -3.06745082   -3.16161754    1.06295708
 C                 -2.91824793   -2.94720236   -0.30688182
 C                 -3.78999275   -4.27302782    1.52437396
 C                 -3.48776737   -3.84250700   -1.20882893
 H                 -2.36432922   -2.08948512   -0.66692831
 C                 -4.36544428   -5.17929498    0.63794523
 C                 -4.20612110   -4.95054272   -0.72246043
 H                 -4.92464964   -6.03857657    0.99564044
 H                 -4.64980460   -5.64665377   -1.42935136
 C                 -3.33200162   -3.61442577   -2.69142303
 H                 -3.76335128   -2.65096788   -2.98708987
 H                 -2.27371448   -3.60030541   -2.97676195
 H                 -3.82924227   -4.39978835   -3.26836287
 C                 -3.08359856    0.56427631    2.16602340
 N                 -0.56516614    1.23216105    2.44427018
 S                 -0.69630202    3.78918370    2.74132385
 C                  0.75423058    1.64426071    2.62328098
 C                  1.88865731    0.83324077    2.65535647
 C                  0.87827213    3.03048216    2.80128635
 C                  3.14031625    1.40974716    2.85382015
 H                  1.79482089   -0.23804634    2.53243082
 C                  2.12108440    3.62468958    3.00306542
 C                  3.24053242    2.80280449    3.02591675
 H                  2.21662372    4.69693250    3.14479066
 H                  4.21836256    3.25015101    3.18351933
 C                  4.37084211    0.53911042    2.87087252
 H                  4.22636555   -0.33316038    3.51977366
 H                  4.59560069    0.16459730    1.86365505
 H                  5.24639848    1.09220221    3.22754894
 C                 -2.21340748    0.04690486   -0.74170993
 C                 -0.25266793   -1.31782120   -0.37982391
 C                 -2.00832508   -0.02412389   -2.11988537
 H                 -3.06689564    0.61295800   -0.34135429
 C                 -0.04784268   -1.38927133   -1.75767677
 C                 -0.92618713   -0.74249205   -2.62796646
 H                 -2.70087449    0.48536336   -2.80547989
 H                  0.80534781   -1.95557043   -2.15851047
 H                 -0.76483304   -0.79904484   -3.71427357
 C                  0.67782778   -2.00767134    0.63500836
 O                  0.44751737   -1.90987763    1.83654925
 C                  1.85901763   -2.78833181    0.02923632
 H                  2.46101508   -2.12603408   -0.55716012
 H                  1.48531764   -3.57512058   -0.59222305
 C                  2.71162931   -3.38981799    1.16187382
 H                  2.11381431   -4.06419157    1.73870785
 H                  3.54116092   -3.91893743    0.74138608
 H                  3.07231150   -2.60424047    1.79248965
 N                 -1.33574806   -0.60001253    0.12820958

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

-Ir 0
lanl2dz






















