%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                -0.41263922   -0.00003296   -0.00208544
 Cl                -2.79040822    0.01015604    0.14850956
 Cl                -0.65725976    1.00152396   -2.24083512
 Cl                -0.59869358   -1.02850816    2.24377937
 Cl                -0.61330953    2.25580241    0.99367994
 Cl                -0.64302051   -2.23078625   -1.02915944
 P                  1.78715722   -0.00143704   -0.03197956
 F                  2.58947222   -1.38979904   -0.12142856
 F                  2.61395722    0.78250896   -1.16561856
 F                  2.56438322    0.60060596    1.23557544

-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



