%mem=10000mb
%nproc=12
#p b3lyp/genecp 5d 7f empiricaldispersion=gd3
scf=(maxcyc=1000,conver=8,nosym) scrf=pcm

imno22nme2-pdph3_aq

0 1
 Pd	 0.671476000	 0.023569000	 0.006272000
 P	-1.603449000	 0.069263000	 0.011159000
 H	-2.327189000	 0.177412000	 1.226017000
 H	-2.308331000	 1.087175000	-0.680225000
 H	-2.345388000	-1.018753000	-0.514996000
 C	 2.716147000	-0.004335000	 0.002000000
 N	 3.562271000	-0.214874000	 1.069100000
 N	 3.563463000	 0.187574000	-1.067487000
 C	 3.082208000	-0.405804000	 2.443340000
 C	 4.877112000	-0.157023000	 0.672113000
 C	 4.878100000	 0.101505000	-0.674177000
 C	 3.083565000	 0.388741000	-2.440373000
 H	 2.005336000	-0.231135000	 2.418722000
 H	 3.302059000	-1.420856000	 2.775946000
 H	 3.569298000	 0.309729000	 3.110019000
 N	 5.996164000	-0.298181000	 1.571431000
 N	 5.997797000	 0.218630000	-1.575777000
 H	 2.003298000	 0.237032000	-2.412400000
 H	 3.323905000	 1.398917000	-2.773638000
 H	 3.553509000	-0.336822000	-3.108486000
 O	 6.982656000	 0.399528000	 1.352924000
 O	 5.861917000	-1.099347000	 2.500486000
 O	 6.972135000	-0.495562000	-1.355495000
 O	 5.876704000	 1.018040000	-2.508198000

-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


