%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 1.17097432 0.00002731 0.00076474
C 1.93545374 1.18936659 0.00711882
C 3.33662571 1.21029209 0.00277806
C 4.02598824 0.00008498 -0.00842525
C 3.33661319 -1.21014814 -0.0151714
C 1.93544215 -1.189279 -0.01046346
H 1.42455091 2.15124524 0.01592584
H 3.88153104 2.15112083 0.00801792
Cl 5.80745917 0.00011784 -0.01416935
H 3.88150879 -2.15095625 -0.02389791
H 1.42453035 -2.15117881 -0.01592561
W -1.15026059 -0.00003552 0.0080855
C -1.07098064 -1.44164148 -1.46426977
C -1.0727748 1.47146738 -1.43447455
C -3.18175556 0.00008013 0.01477977
C -1.06344502 -1.47150672 1.45013776
C -1.0614495 1.44160222 1.47983794
O -1.00824403 -2.25926964 -2.28867214
O -1.01183538 2.30585759 -2.24206786
O -4.35410816 -0.00040993 0.01840455
O -0.99818549 -2.30573774 2.25755566
O -0.99391535 2.25882628 2.30426076

-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


