%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-pdph3

0 1
 Pd                 1.15572800   -0.00007500    0.00802800
 P                  3.42195400    0.00005500   -0.01692800
 H                  4.15848033    0.26938925    1.16892234
 H                  4.16624895   -1.15695179   -0.37673152
 H                  4.16065466    0.89458225   -0.83926281
 C                 -0.90674209    0.00552045    0.00620990
 C                 -1.67812300   -1.21365100    0.00100100
 C                 -1.67805200    1.21369800    0.00102300
 C                 -3.05822800   -1.18679000   -0.00805900
 C                 -0.98449500   -2.55570500    0.00576900
 C                 -0.98434100    2.55571000    0.00577000
 C                 -3.05815800    1.18692000   -0.00805500
 H                 -3.68124500   -2.07591900   -0.01194900
 N                 -3.72413600    0.00008500   -0.01246800
 H                 -0.32773800   -2.64058900   -0.86699400
 H                 -0.33971900   -2.64066000    0.88737900
 H                 -1.69376800   -3.39379200    0.00098400
 H                 -0.33932300    2.64050100    0.88721700
 H                 -0.32781200    2.64067100   -0.86716000
 H                 -1.69356200    3.39384200    0.00127200
 H                 -3.68112000    2.07608600   -0.01194800
 H                 -4.73606200    0.00011500   -0.01861400

-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



