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

imnme2nme2-zrcl5

-1 1
 Zr                -2.02009600   -0.00904400    0.00341400
 Cl                -4.46933600   -0.07891200    0.09443200
 Cl                -1.80852900   -1.98548100   -1.51450500
 Cl                -1.81028800    1.97799000    1.50428900
 Cl                -1.90909000    1.46177900   -2.02069200
 Cl                -1.69129000   -1.47378700    2.01370200
 C                  0.49804100    0.05081100   -0.06026600
 N                  1.31470600    1.14784400   -0.14972200
 N                  1.36874200   -0.99714000    0.00507600
 C                  0.88571400    2.54161300   -0.25699000
 C                  2.66157500    0.79275700   -0.13190200
 C                  2.70510900   -0.57055200   -0.03236100
 C                  1.01294900   -2.41421200    0.06388200
 H                  1.65992400    3.08663400   -0.80188900
 H                 -0.05811300    2.58558900   -0.79340400
 H                  0.74445000    2.97311400    0.73696400
 N                  3.83844400   -1.39143900    0.04177200
 H                  0.95105900   -2.83097700   -0.94456700
 H                  1.77280800   -2.94087100    0.64394400
 H                  0.04996500   -2.52629500    0.55278100
 C                  4.08417800   -2.32424700   -1.05102800
 C                  4.24765200   -1.86998300    1.35690500
 H                  3.54740400   -3.28257900   -0.94290800
 H                  3.77720700   -1.86611100   -1.99563400
 H                  5.15965300   -2.54404500   -1.10512900
 H                  3.71900100   -2.78579100    1.67725500
 H                  5.32444500   -2.09070600    1.34439300
 H                  4.06051200   -1.09016200    2.09997700
 N                  3.81166015    1.70531362   -0.20568932
 C                  4.37066469    2.36156062    0.96971767
 C                  4.48233849    2.02471638   -1.46036171
 H                  4.32698203    3.46343833    0.92309337
 H                  3.82624031    2.03608171    1.86082140
 H                  5.42446981    2.06998585    1.08090886
 H                  4.44178158    3.09752019   -1.72160378
 H                  5.54064318    1.73581617   -1.39046021
 H                  4.01940034    1.45784364   -2.27254502

-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



