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

zrcl5-H2eta1_vacuum1_aq

-1 1
 Zr	 0.000474000	 0.017494000	-0.229164000
 Cl	-0.027052000	-0.133432000	 2.182420000
 Cl	 0.007637000	 2.441160000	-0.285972000
 Cl	-0.003904000	-2.397942000	-0.437330000
 Cl	 2.479119000	 0.012004000	-0.226922000
 Cl	-2.478470000	 0.025617000	-0.281936000
 H	 0.106199000	 0.153560000	-3.411017000
 H	 0.149878000	 0.167694000	-4.151990000

-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


