%mem=10000MB
%nprocshared=12
#p opt freq b3lyp/genecp 5d 7f empiricaldispersion=gd3
scf=(xqc,maxcyc=1000,conver=8,nosym)

pf3-zrcl5

-1 1
 Zr                -0.00000800    0.00106300   -0.00046600
 Cl                 1.43113191    1.81376844   -0.78757277
 Cl                -0.45056234   -0.64589144   -2.30958951
 Cl                 0.45054771    0.64800688    2.30865992
 Cl                 1.92416340   -1.49865804    0.04426470
 Cl                -1.92417606    1.50078842   -0.04520609
 P                 -1.46634601   -1.85620982    0.80600191
 F                 -2.38801019   -2.39478571   -0.42581429
 F                 -0.54055522   -3.07558337    1.36541192
 H                 -2.26158629   -1.40316676    1.79839542

-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





