%mem=3200mb %nproc=4 #p B3LYP/genecp scf=(xqc,maxcyc=1000,conver=8) freq 5D 7F scf=nosym empiricaldispersion=gd3 Bitartekari zentralaren dobletea base handiagoa erabiliz: 1 1 P -1.65204076 0.00236507 0.00289559 Cl -2.42726302 -0.02012351 1.87728946 Cl -2.43311289 -1.60622181 -0.95416634 Cl -2.42554191 1.63900762 -0.91191392 Ta 1.0572246 -0.00273155 -0.00036687 C 1.94225862 1.97496622 -0.00757706 C 1.9430391 -0.00998797 -1.97756079 C 1.94055365 -1.98099705 0.00653706 C 1.94920618 0.00363138 1.97484589 H 1.50631459 2.50967542 -0.86677868 H 3.03367293 2.02095605 -0.09352399 H 1.64433986 2.49818374 0.91315985 H 1.50103108 -0.86591998 -2.51345185 H 3.03375678 -0.10781065 -2.02096057 H 1.65614773 0.91305006 -2.50218243 H 3.02972451 -2.0301056 0.11571049 H 1.65940365 -2.50355164 -0.91918566 H 1.48573927 -2.51467933 0.85763517 H 1.50974291 0.86040779 2.51098195 H 3.04010176 0.09799303 2.01424195 H 1.65982634 -0.9182093 2.49994575 -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