%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:

0 1
S 1.52553515 -0.09372533 -0.99583313
C 2.40751935 -1.39795304 -0.22262665
C 3.40878849 -0.91488301 0.56054386
C 3.46426981 0.52736478 0.5849356
C 2.50416152 1.11206381 -0.18029285
H 2.12843417 -2.42438138 -0.42134968
H 4.09185467 -1.55103851 1.11331139
H 4.19352141 1.09014887 1.15790346
H 2.30508641 2.16301083 -0.3440365
W -1.00945615 -0.01013124 -0.19916958
C -1.46468495 -1.44254864 -1.62611044
C -1.35629331 1.48937591 -1.58712401
C -2.93611592 0.0538609 0.35160632
C -0.65481916 -1.50211106 1.19551786
C -0.54736097 1.41393067 1.23449277
O -1.7379296 -2.2436518 -2.41296072
O -1.56895581 2.32899597 -2.35220867
O -4.05115008 0.09076617 0.67242126
O -0.46888306 -2.3317165 1.97756232
O -0.30163597 2.20646315 2.03819971

-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


