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

of-vacuum-pyc4-3-5-me2nh-zrcl5

-1 1
 Zr                -0.85149800   -0.00069800   -0.00039300
 Cl                -0.85385000    1.79434900   -1.65308600
 Cl                -0.85023700   -1.65339800   -1.79543600
 Cl                -0.84915300   -1.79574200    1.65230600
 Cl                -0.85275300    1.65199500    1.79465700
 C                  1.36850100    0.00164900   -0.00100300
 C                  2.14292500   -1.19971000   -0.00112600
 C                  2.14038700    1.20465400   -0.00130300
 C                  3.52785400   -1.18502800   -0.00167200
 C                  3.52534600    1.19288300   -0.00183000
 H                  4.16032500   -2.06963600   -0.00193100
 N                  4.18789200    0.00462400   -0.00200900
 H                  4.15596300    2.07881600   -0.00224500
 H                  5.20004500    0.00569900   -0.00258300
 Cl                -3.29149700   -0.00327800    0.00026600
 H                  1.63124302    2.14575568   -0.00111413
 H                  1.63576709   -2.14188341   -0.00078486

-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





