%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
O 1.03337835 -0.00001658 -0.00124388
H 1.79846736 -0.00085228 0.58877216
Ta -0.88517235 -0.0002116 0.04432189
C -1.82672556 -0.00030493 2.04095382
C -1.72231912 -2.0490712 0.02233649
C -1.70179762 -0.00020194 -2.00407666
C -1.72244929 2.0485983 0.0223911
H -1.52853152 -0.8904472 2.61517144
H -2.92436995 -0.00038707 1.98178934
H -1.52862436 0.88980453 2.61525193
H -1.3662054 -2.60666334 -0.85657595
H -2.82112589 -2.0535636 -0.00410853
H -1.41176879 -2.60685206 0.91908291
H -2.80063052 -0.00038728 -2.01129672
H -1.361355 -0.88950979 -2.55409413
H -1.36168444 0.8892935 -2.55400173
H -1.41216127 2.60634286 0.91925182
H -2.82125031 2.05302071 -0.00431263
H -1.36612933 2.60624607 -0.85639596

-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


