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

ph2f-zrcl5_aq

-1 1
 Zr	 0.199384000	 0.251767000	-0.296913000
 Cl	 1.706492000	 2.102770000	-0.610871000
 Cl	-0.426658000	-0.430739000	-2.553470000
 Cl	 0.161177000	 0.113355000	 2.256183000
 Cl	 1.895919000	-1.555044000	-0.229992000
 Cl	-1.902029000	 1.555225000	-0.117530000
 P	-1.452180000	-1.805885000	 0.806649000
 F	-2.384900000	-2.917863000	 0.020803000
 H	-2.420467000	-1.328975000	 1.716089000
 H	-0.761171000	-2.685816000	 1.667041000

-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


