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

imnet2-anti-pdph3_aq

0 1
 Pd	 0.014215000	 0.681726000	 0.047442000
 P	-0.060491000	-1.568183000	-0.016955000
 H	 0.787287000	-2.353529000	 0.810062000
 H	-1.251343000	-2.279797000	 0.292389000
 H	 0.217016000	-2.280838000	-1.214860000
 C	 0.057377000	 2.756540000	 0.082872000
 N	-0.807656000	 3.563089000	 0.742986000
 N	 0.911518000	 3.557778000	-0.593905000
 C	-2.013485000	 3.085423000	 1.409589000
 C	-0.665438000	 4.978519000	 0.369561000
 C	 0.717817000	 4.985346000	-0.295723000
 C	 2.099214000	 3.101903000	-1.301579000
 H	-1.767244000	 2.119080000	 1.859392000
 H	-2.246203000	 3.787715000	 2.221014000
 C	-3.208111000	 2.933284000	 0.461408000
 H	-0.727869000	 5.626723000	 1.250011000
 H	-1.457117000	 5.272954000	-0.334624000
 H	 0.754184000	 5.595223000	-1.203159000
 H	 1.507982000	 5.333469000	 0.387342000
 H	 2.982993000	 3.579575000	-0.850207000
 H	 2.174336000	 2.024646000	-1.126740000
 C	 2.041098000	 3.396310000	-2.803142000
 H	-4.088451000	 2.581551000	 1.013073000
 H	-3.469775000	 3.883465000	-0.020131000
 H	-2.967296000	 2.199996000	-0.316147000
 H	 2.955637000	 3.040776000	-3.292855000
 H	 1.183829000	 2.884945000	-3.254568000
 H	 1.949820000	 4.470402000	-3.006471000

-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


