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

a124triaznme2-zrcl5_aq

-1 1
 Zr	 0.121802000	 0.225740000	-0.131574000
 Cl	 1.433464000	 2.066963000	-1.053687000
 Cl	-0.553967000	-0.726791000	-2.342041000
 Cl	 0.548231000	 0.765826000	 2.269269000
 Cl	 2.025443000	-1.400729000	-0.002711000
 Cl	-2.037968000	 1.466218000	-0.045667000
 C	-1.275981000	-1.670037000	 0.763174000
 N	-2.220616000	-1.653801000	 1.730015000
 N	-1.316299000	-2.981143000	 0.349422000
 C	-2.693123000	-0.521182000	 2.521184000
 N	-2.847698000	-2.859838000	 1.935422000
 C	-2.267625000	-3.645938000	 1.072762000
 C	-0.540873000	-3.606964000	-0.723389000
 H	-1.894573000	 0.210664000	 2.610310000
 H	-3.551183000	-0.062898000	 2.023877000
 H	-2.977334000	-0.903699000	 3.503564000
 H	-2.495578000	-4.694519000	 0.945466000
 H	 0.467492000	-3.197174000	-0.724403000
 H	-0.507699000	-4.683949000	-0.533600000
 H	-1.008176000	-3.399201000	-1.687409000

-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


