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

imnpri2-zrcl5_aq

-1 1
 Zr	 0.199756000	 0.254457000	-0.110190000
 Cl	 1.635116000	 2.072952000	-0.899446000
 Cl	-0.362566000	-0.590804000	-2.398105000
 Cl	 0.504008000	 0.772790000	 2.319628000
 Cl	 2.032744000	-1.447460000	-0.015991000
 Cl	-1.891194000	 1.629563000	-0.062532000
 C	-1.284822000	-1.626393000	 0.706136000
 N	-2.521419000	-1.991881000	 0.244435000
 N	-1.042747000	-2.520895000	 1.714693000
 C	-3.026263000	-3.075568000	 0.944205000
 C	-3.282982000	-1.359650000	-0.854893000
 C	-2.094353000	-3.408968000	 1.870820000
 C	 0.161821000	-2.592051000	 2.570362000
 H	-3.989289000	-3.509905000	 0.726962000
 H	-2.662905000	-0.548388000	-1.220412000
 C	-4.588155000	-0.763703000	-0.320227000
 C	-3.490958000	-2.357906000	-1.997139000
 H	-2.090152000	-4.189339000	 2.615310000
 H	 0.813619000	-1.792106000	 2.236457000
 C	 0.886138000	-3.923772000	 2.354997000
 C	-0.211035000	-2.329750000	 4.032097000
 H	-5.268857000	-1.537412000	 0.060014000
 H	-4.373331000	-0.047331000	 0.478244000
 H	-5.099936000	-0.228946000	-1.128540000
 H	-4.121112000	-3.205057000	-1.694141000
 H	-3.983141000	-1.851628000	-2.835408000
 H	-2.524754000	-2.733277000	-2.347050000
 H	 0.280399000	-4.779693000	 2.682173000
 H	 1.141289000	-4.044676000	 1.298033000
 H	 1.817702000	-3.926843000	 2.932437000
 H	-0.867299000	-3.112247000	 4.436547000
 H	 0.700937000	-2.304325000	 4.639482000
 H	-0.707272000	-1.359048000	 4.123641000

-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


