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

of-vacuum-aimnme2-zrcl5

-1 1
 N                 -2.28198900    1.19851600   -0.00028300
 C                 -1.40565200    0.10532300   -0.00020100
 C                 -3.56250800    0.80021500   -0.00009100
 C                 -1.87696700    2.60532500   -0.00061100
 H                 -4.43428500    1.43675100    0.00003500
 H                 -0.78744754    2.65846115   -0.01785008
 H                 -2.30655174    3.09921553   -0.87771102
 H                 -2.22721926    3.07299118    0.92068498
 N                 -3.57584900   -0.54353300   -0.00026000
 C                 -2.25952700   -0.97742600   -0.00037200
 C                 -4.75876300   -1.38985300   -0.00027200
 H                 -5.34598164   -1.20742502   -0.90548046
 H                 -4.46209851   -2.44274371    0.02987645
 H                 -5.37142493   -1.16446398    0.87636429
 H                 -2.01353700   -2.02841000   -0.00041200
 Zr                 0.63709206   -0.06700412    0.00003299
 Cl                 3.09348406   -0.29080112    0.00048999
 Cl                 0.56599906    1.70916388    1.78206399
 Cl                 0.20179406   -1.80572412   -1.74924801
 Cl                 0.56691206    1.71044488   -1.78064901
 Cl                 0.20128006   -1.80706512    1.74790399

-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



