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

imf2nme2-zrcl5

-1 1
 Zr                -0.00000800    0.00106300   -0.00046600
 Cl                 1.43113190    1.81376844   -0.78757279
 Cl                -0.44683042   -0.64879828   -2.30949842
 Cl                 0.44681579    0.65091372    2.30856884
 Cl                 1.92503344   -1.49740075    0.04874214
 Cl                -1.92504609    1.49953112   -0.04968354
 C                 -1.30211616   -1.64819527    0.71567751
 N                 -1.05750237   -2.53701340    1.71975753
 N                 -2.53270779   -2.00848492    0.25412220
 C                  0.13936538   -2.58161590    2.53666148
 C                 -2.10844507   -3.40741768    1.87767455
 C                 -3.03237598   -3.07701358    0.96112539
 C                 -3.24758548   -1.35949219   -0.82948437
 H                  0.80597684   -1.80345128    2.17521204
 H                 -0.10344234   -2.39907171    3.58444411
 H                  0.62114148   -3.55454123    2.43987430
 F                 -2.09454069   -4.35879085    2.78835395
 F                 -4.20821342   -3.60737546    0.69531862
 H                 -2.66825689   -0.50919331   -1.18121291
 H                 -3.37596916   -2.07240575   -1.64152428
 H                 -4.22539829   -1.01860396   -0.49011984

-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



