%mem=3200MB
%nprocshared=12
#p freq=noraman b3lyp/genecp nosymm 5d 7f
empiricaldispersion=gd3 scrf=(pcm,solvent=water)

ircoph32_H2eta1_vacuum1_aq

1 1
 Ir	-0.000014000	-0.227348000	 0.001247000
 C	-0.000166000	 1.648737000	-0.003265000
 P	-2.359822000	-0.263304000	 0.001256000
 P	 2.359902000	-0.262993000	 0.001276000
 O	-0.000250000	 2.795085000	-0.005776000
 H	-3.025574000	 0.974590000	-0.016638000
 H	-2.977501000	-0.924134000	-1.078700000
 H	-2.978503000	-0.893167000	 1.099017000
 H	 3.025396000	 0.975007000	 0.021265000
 H	 2.977924000	-0.925624000	 1.079908000
 H	 2.978479000	-0.890784000	-1.097742000
 H	-0.002081000	-2.205047000	-0.007223000
 H	-0.002838000	-2.955148000	 0.002657000

-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


