%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
Cl 1.4568158 -0.00026733 0.00019351
Ta -0.87563944 -0.00027616 0.00011305
C -1.75063811 0.00010552 2.01426775
C -1.7507571 -2.01437602 0.00047125
C -1.7504752 -0.00068045 -2.01411121
C -1.75081339 2.01379874 -0.0003057
H -1.42632855 -0.89411581 2.56666966
H -2.84867599 0.01365203 2.00902848
H -1.40505721 0.88366193 2.57125653
H -1.42654868 -2.56683784 -0.8937456
H -2.84879748 -2.00892829 0.01400684
H -1.40529668 -2.57142177 0.88403519
H -2.84851326 -0.01423551 -2.0089714
H -1.40483466 -0.88423354 -2.57106768
H -1.4261222 0.89354396 -2.56648348
H -1.42664701 2.56627232 0.89392029
H -2.84885326 2.00832115 -0.01387135
H -1.40534359 2.57085417 -0.88385943

-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


