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

phf2-zrcl5_aq

-1 1
 Zr	 0.312092000	 0.231051000	-0.231927000
 Cl	 1.545463000	 2.221420000	-0.753592000
 Cl	-0.284298000	-0.592859000	-2.463247000
 Cl	 0.360709000	 0.328504000	 2.278798000
 Cl	 2.092773000	-1.450864000	-0.115686000
 Cl	-2.007310000	 1.183299000	-0.059684000
 P	-1.453929000	-1.814408000	 0.807354000
 F	-2.587440000	-2.526208000	-0.107040000
 F	-0.898684000	-3.137750000	 1.561169000
 H	-2.304778000	-1.352853000	 1.837938000

-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


