%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-pdhph32

1 1
 Pd                 0.00000300    0.10575600    0.00000000
 P                  0.00454243   -0.08827074   -2.34104254
 H                  0.00584837    1.11928602   -3.06816776
 H                  1.09461165   -0.76190693   -2.92079070
 H                 -1.08315425   -0.76208793   -2.92501853
 P                 -0.00453643   -0.08826926    2.34104266
 H                 -0.00605037    1.11928798    3.06816671
 H                 -1.09448966   -0.76208607    2.92079648
 H                  1.08327626   -0.76190507    2.92501431
 C                 -0.00033302   -1.94424397    0.00000000
 C                  1.20169058   -2.71763408    0.00233153
 C                 -1.20266997   -2.71716488   -0.00226963
 C                  1.18820089   -4.10257542    0.00252681
 C                  2.53618641   -2.00287744    0.00453399
 C                 -2.53687063   -2.00188077   -0.00546981
 C                 -1.18970768   -4.10211347   -0.00204036
 H                  2.07335084   -4.73428372    0.00439636
 N                 -0.00088105   -4.76363693    0.00034523
 H                  2.61218403   -1.35409409   -0.87576118
 H                  2.60716257   -1.35029956    0.88239636
 H                  3.39281645   -2.69017653    0.00835690
 H                 -2.60945334   -1.34624906    0.86994959
 H                 -2.61072912   -1.35610434   -0.88819265
 H                 -3.39379657   -2.68880248   -0.00128146
 H                 -2.07509551   -4.73349309   -0.00353335
 H                 -0.00108516   -5.77578986    0.00068132
 H                  0.00021074    1.68575599   -0.00000010

-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

