%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
C 1.20907346 0.00052006 -0.00721448
C 2.43878943 0.0000456 -0.01422333
H 3.50697006 -0.00021186 -0.02000686
W -1.01601744 0.00003424 0.00591396
C -0.96889329 -1.44164638 -1.47495944
C -0.96907464 1.48056655 -1.43613625
C -3.04705959 -0.00028946 0.01817334
C -0.95096408 -1.48060988 1.44714332
C -0.95137132 1.44165591 1.48621538
O -0.94956673 -2.25182309 -2.30730903
O -0.94965324 2.31226463 -2.24697306
O -4.22055227 0.00009716 0.02457564
O -0.92185787 -2.31291948 2.25705495
O -0.92251846 2.25224127 2.31787589

-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


