%mem=6400mb
%nproc=4
#p b3lyp/genecp 5d 7f empiricaldispersion=gd3
scf=(maxcyc=1000,conver=8,nosym) scrf=pcm

of-water-

-1 1
 C                  1.21257000   -0.00000400   -0.13075400
 N                  2.06027000    1.07159200   -0.10274700
 C                  3.39626100    0.68142300   -0.02808300
 C                  3.39626900   -0.68142000   -0.02816000
 N                  2.06027400   -1.07159500   -0.10268000
 C                  1.67799600    2.48167500   -0.09602900
 H                  2.33516900    3.03192300   -0.77647500
 H                  0.65264800    2.58381500   -0.43574900
 H                  1.75941200    2.88794000    0.91639400
 C                  1.67800900   -2.48168000   -0.09586600
 H                  2.33507900   -3.03194000   -0.77640600
 H                  1.75960800   -2.88793200    0.91655400
 H                  0.65261000   -2.58383500   -0.43540900
 C                  4.52579600    1.65664900    0.03603500
 H                  4.61313000    2.24866300   -0.88522400
 H                  4.40298400    2.36349800    0.86666600
 H                  5.47408900    1.13033000    0.18222200
 C                  4.52580700   -1.65664700    0.03586100
 H                  4.40301700   -2.36353000    0.86646500
 H                  4.61311600   -2.24862400   -0.88542500
 H                  5.47410500   -1.13033600    0.18204900
 Zr                -1.30494700   -0.00000300    0.01276500
 Cl                -3.74493700    0.00009600    0.24280100
 Cl                -1.24886600   -1.73790000   -1.78995000
 Cl                -0.92571300    1.75120300    1.75781300
 Cl                -1.24872800    1.73764200   -1.79019100
 Cl                -0.92570600   -1.75102900    1.75798000

-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


