%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
He 1.63623698 0.00020014 0.00014602
Ta -0.83193414 -0.00013885 0.00009438
C -1.76011118 0.00175396 1.95136337
C -1.76029984 -1.95135348 0.00224474
C -1.76004486 -0.00247507 -1.95134604
C -1.76097552 1.95085714 -0.00194512
H -1.40816589 -0.88980354 2.49168493
H -2.85530987 0.00225175 1.96062536
H -1.40746675 0.89465307 2.48906011
H -1.40849364 -2.49200945 -0.88914045
H -2.85550764 -1.96019812 0.00263391
H -1.40797132 -2.48896535 0.89531706
H -2.85524395 -0.0031334 -1.96066531
H -1.40726515 -0.89541105 -2.48889441
H -1.40821986 0.8890097 -2.4918399
H -1.40966563 2.49145862 0.88967101
H -2.85618646 1.95934257 -0.00270553
H -1.40853429 2.48879846 -0.89475742

-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


