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

asdasfh

1 2
Ir    -1.541412    -0.623319     2.153505
 N    -2.593655    -2.412936     2.159201
 C    -2.838554    -2.881936     3.367647
 C    -2.411625    -2.097250     4.508446
 C    -1.751735    -0.902347     4.133923
 C    -1.322918    -0.069902     5.177507
 H    -0.816619     0.867225     4.958662
 C    -1.536702    -0.416435     6.510802
 C    -2.187369    -1.607075     6.851716
 H    -2.350481    -1.864462     7.894147
 C    -2.628321    -2.454953     5.844894
 H    -3.137290    -3.381360     6.103102
 C    -4.496241     0.120724     2.137876
 H    -4.743029    -0.934691     2.055866
 C    -5.530332     1.054998     2.142409
 H    -6.559326     0.711336     2.066507
 C    -5.268199     2.426114     2.242451
 H    -6.083726     3.143274     2.243756
 C    -3.954649     2.863170     2.338958
 H    -3.740834     3.927304     2.415513
 C    -2.920094     1.920403     2.333662
 C    -1.510194     2.233611     2.415697
 H    -1.194704     0.251418     7.297973
 S    -3.666808    -4.402612     3.397402
 C    -3.068581    -3.253738     1.155373
 C    -2.993237    -3.040424    -0.224543
 C    -3.682968    -4.411968     1.649887
 C    -3.507954    -3.991497    -1.096251
 H    -2.544201    -2.136130    -0.613156
 C    -4.207403    -5.377441     0.789854
 C    -4.107260    -5.156769    -0.574852
 H    -4.678725    -6.276140     1.176142
 H    -4.505404    -5.899196    -1.262220
 C    -3.435202    -3.783871    -2.586397
 H    -4.438987    -3.715277    -3.021941
 H    -2.894569    -2.864806    -2.833730
 H    -2.925730    -4.622551    -3.074800
 C    -3.156111     0.526640     2.226594
 N    -0.666487     1.223598     2.371069
 S    -0.761956     3.785586     2.595092
 C     0.659163     1.619591     2.501342
 C     1.772494     0.781017     2.536651
 C     0.807650     3.008689     2.626251
 C     3.040207     1.338777     2.677879
 H     1.640527    -0.293527     2.465385
 C     2.068119     3.582698     2.769102
 C     3.170394     2.736371     2.789161
 H     2.192166     4.656523     2.869476
 H     4.160848     3.169290     2.902748
 C     4.253347     0.444517     2.703632
 H     4.139306    -0.352001     3.447496
 H     4.402905    -0.037433     1.730064
 H     5.160097     1.007828     2.943893
 C    -1.746021     0.460697    -0.771523
 C    -0.044723    -1.084921    -0.463018
 C    -1.390532     0.650696    -2.101397
 H    -2.584673     0.991550    -0.333932
 C     0.371078    -0.939692    -1.781924
 C    -0.314138    -0.059698    -2.614414
 H    -1.956726     1.344849    -2.712614
 H     1.219392    -1.495499    -2.162790
 H    -0.006331     0.065482    -3.647510
 C     0.593677    -2.007261     0.516850
 O     0.191459    -1.970129     1.712642
 C     1.620062    -2.915625     0.153500
 H     1.931657    -2.983012    -0.882971
 C     2.240707    -3.815623     1.147601
 H     1.586329    -4.687365     1.309986
 H     3.203986    -4.188430     0.791601
 H     2.361453    -3.329206     2.121135
 N    -1.094702    -0.389160     0.029505

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

-Ir 0
lanl2dz






















