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

dpyim-zrcl5_aq

-1 1
 Zr	 0.159722000	 0.206508000	-0.091937000
 Cl	 1.592370000	 2.024606000	-0.883280000
 Cl	-0.434069000	-0.653804000	-2.364778000
 Cl	 0.458445000	 0.692371000	 2.343890000
 Cl	 1.974617000	-1.511273000	 0.026051000
 Cl	-1.950251000	 1.549844000	-0.046957000
 C	-1.302671000	-1.649137000	 0.715846000
 N	-1.070579000	-2.553567000	 1.727697000
 N	-2.546414000	-2.028139000	 0.262878000
 C	 0.053009000	-2.635054000	 2.539908000
 C	-2.126922000	-3.471661000	 1.910003000
 C	-3.277795000	-1.449208000	-0.766047000
 C	-3.083279000	-3.131176000	 0.960783000
 C	 0.124809000	-3.597850000	 3.502477000
 H	 0.825649000	-1.907183000	 2.352900000
 C	-2.051020000	-4.468375000	 2.907521000
 C	-4.503385000	-1.950094000	-1.091183000
 H	-2.815665000	-0.610790000	-1.261257000
 C	-4.352939000	-3.648832000	 0.622787000
 C	-0.934460000	-4.537063000	 3.703003000
 H	 1.016193000	-3.634221000	 4.119943000
 H	-2.881830000	-5.158689000	 3.020712000
 C	-5.064658000	-3.066601000	-0.396369000
 H	-5.048813000	-1.474926000	-1.899808000
 H	-4.736108000	-4.498517000	 1.180288000
 H	-0.851411000	-5.294018000	 4.477182000
 H	-6.043173000	-3.445611000	-0.675821000

-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


