%mem=10000mb
%nproc=12
#p b3lyp/genecp 5d 7f empiricaldispersion=gd3
scf=(maxcyc=1000,conver=8,nosym) scrf=pcm

pf3-zrcl5_aq

-1 1
 Zr	-1.090779000	 0.000016000	-0.002724000
 Cl	-3.469951000	 0.007260000	 0.122843000
 Cl	-0.675817000	 0.994679000	-2.219561000
 Cl	-0.460216000	-1.003204000	 2.172600000
 Cl	-0.520796000	 2.202317000	 0.969451000
 Cl	-0.633488000	-2.198263000	-1.024601000
 P	 2.071219000	-0.000504000	-0.014290000
 F	 2.875219000	-1.388888000	-0.084807000
 F	 2.909378000	 0.775199000	-1.145297000
 F	 2.834869000	 0.611422000	 1.256824000

-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


