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

imnet2-anti-zrcl5_aq

-1 1
 Zr	 0.125638000	 0.399136000	-0.083888000
 Cl	 1.469561000	 2.291672000	-0.851848000
 Cl	-0.368724000	-0.450486000	-2.381371000
 Cl	 0.370605000	 0.917562000	 2.347797000
 Cl	 2.039166000	-1.202621000	 0.028458000
 Cl	-2.032059000	 1.659369000	-0.027487000
 C	-1.291905000	-1.601269000	 0.693032000
 N	-1.017058000	-2.431115000	 1.724269000
 N	-2.481394000	-1.989816000	 0.180250000
 C	 0.185267000	-2.492573000	 2.549220000
 C	-2.008805000	-3.507133000	 1.883040000
 C	-3.146456000	-3.023883000	 0.989102000
 C	-3.250400000	-1.395103000	-0.907716000
 H	 0.759297000	-1.586728000	 2.386048000
 H	-0.136309000	-2.488303000	 3.601455000
 C	 1.049360000	-3.724371000	 2.258540000
 H	-2.292019000	-3.616746000	 2.936428000
 H	-1.590880000	-4.462394000	 1.537477000
 H	-3.565386000	-3.815170000	 0.360495000
 H	-3.968596000	-2.564080000	 1.559095000
 H	-4.245444000	-1.139549000	-0.511819000
 H	-2.776818000	-0.465573000	-1.204171000
 C	-3.370313000	-2.331059000	-2.114003000
 H	 1.960322000	-3.676768000	 2.867119000
 H	 0.536201000	-4.665665000	 2.496157000
 H	 1.348152000	-3.729650000	 1.206154000
 H	-3.956773000	-1.840835000	-2.900837000
 H	-2.374502000	-2.543443000	-2.513887000
 H	-3.868400000	-3.277257000	-1.863535000

-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


