%mem=3200MB
%nprocshared=12
#p opt=(z-matrix,maxcycles=500) freq b3lyp/genecp 5d 7f
empiricaldispersion=gd3 scf=(xqc,maxcyc=1000,conver=8,nosym)

Optimization of IrCO(OPH3)2+

1 1
 Ir                -0.00001400   -0.22734800    0.00124700
 C                 -0.00016600    1.64873700   -0.00326500
 P                 -2.35982200   -0.26330400    0.00125600
 P                  2.35990200   -0.26299300    0.00127600
 O                 -0.00025000    2.79508500   -0.00577600
 H                 -3.02557400    0.97459000   -0.01663800
 H                 -2.97750100   -0.92413400   -1.07870000
 H                 -2.97850300   -0.89316700    1.09901700
 H                  3.02539600    0.97500700    0.02126500
 H                  2.97792400   -0.92562400    1.07990800
 H                  2.97847900   -0.89078400   -1.09774200
 H                  1           B11    2           A10    5            D9    0
 H                   12         B12    1           A11    4           D10    0

B11    1.98232
B12    0.75018  
A10    178.75668 
A11    178.99998 -1 
D9     -176.60977 
D10     90.13423  

-H -C -N -O -P -B -S -Al -Cl -F -He -Si 0
6-31+g*
****
-Pd -Os -Au -W -Fe -K -Ti -Cu -Co -Pt -Ag -Cr -V -Sc -Mn -Hf -Ir -I -Br -Ta -Zn -Zr -Mo -Re -Ru -Rh -Ru -Ni -Nb -Xe -Sn -In -Y -Ga -Hg 0
sdd
*******************

-Pd -Os -Au -W -Fe -K -Ti -Cu -Co -Pt -Ag -Cr -V -Sc -Mn -Hf -Ir -I -Br -Ta -Zn -Zr -Mo -Re -Ru -Rh -Ru -Ni -Nb -Xe -Sn -In -Y -Ga -Hg 0
sdd


