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

imnet2-anti-zrcl5

-1 1
 Zr                -0.00000800    0.00106300   -0.00046600
 Cl                 1.43128947    1.81377026   -0.78728257
 Cl                -0.44658586   -0.64862355   -2.30959477
 Cl                 0.44657391    0.65073948    2.30866450
 Cl                 1.92497323   -1.49747425    0.04886211
 Cl                -1.92498685    1.49960380   -0.04980341
 C                 -1.30225907   -1.64819694    0.71541375
 N                 -1.08124242   -2.43513325    1.78276554
 N                 -2.46308863   -2.04944409    0.16240493
 C                  0.10529306   -2.42925830    2.61175336
 C                 -2.04904925   -3.52412851    1.90244545
 C                 -3.14954616   -3.06986871    0.95320838
 C                 -3.18300476   -1.35994493   -0.88740528
 H                  0.49699046   -1.41377632    2.60383797
 H                 -0.20852478   -2.64516703    3.63841532
 C                  1.17171742   -3.41978225    2.16518566
 H                 -2.38885108   -3.63453114    2.93429436
 H                 -1.60182296   -4.47261154    1.58496329
 H                 -3.52885288   -3.87786501    0.32657243
 H                 -3.99809797   -2.61946774    1.48351791
 H                 -4.15088714   -1.03148641   -0.48664317
 H                 -2.61284667   -0.46394891   -1.12729653
 C                 -3.39136959   -2.21084446   -2.13128387
 H                  2.04137197   -3.35647247    2.82280663
 H                  0.80831023   -4.44979094    2.19412469
 H                  1.49683754   -3.19739929    1.14738269
 H                 -3.93416584   -1.63913355   -2.88708615
 H                 -2.43312209   -2.51388294   -2.55663411
 H                 -3.97371537   -3.11079569   -1.91954718

-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



