%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 -0.07363502 0.09418894 -2.40586382
H -1.10147659 0.24272072 -2.76519687
H 0.5335014 0.92689952 -2.78750033
H 0.30720396 -0.83077071 -2.86052253
W -0.00112311 -0.00065578 -0.02052736
C 0.79855444 -1.88523364 -0.2183886
C -1.89032421 -0.8089811 -0.13095517
C 0.04404692 -0.04194503 2.00012667
C 1.88859905 0.79917168 -0.18184845
C -0.80643935 1.89177279 -0.11492607
O 1.24955789 -2.94857486 -0.37586319
O -2.95731566 -1.26667266 -0.23455086
O 0.0684347 -0.06070116 3.17524762
O 2.95519395 1.2500586 -0.31421614
O -1.26134538 2.96000568 -0.2146959

-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


