%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:

3 1
N 1.30675121 -0.00283055 -0.0041956
C 2.00986756 -1.17091975 0.11353879
C 3.39663876 -1.21460297 0.11301449
C 4.11337209 -0.01698147 -0.01253386
C 3.4080222 1.1878107 -0.13384716
C 2.02089924 1.15810145 -0.12611969
H 1.42981668 -2.08513285 0.20977163
H 3.90650286 -2.16847446 0.20908363
H 5.20027261 -0.0224671 -0.01575251
H 3.9268813 2.13650931 -0.23292574
H 1.44951937 2.07814215 -0.21884279
Y -1.0378731 0.00882988 0.00249351
O -3.43594566 0.01935226 0.00902269
O -1.0297027 0.24910289 2.34283396
O -1.30670465 -2.33043285 0.24330779
O -1.28675789 2.35051857 -0.23667385
O -1.04538494 -0.23089857 -2.33795711
H -4.03055369 0.79434072 -0.06864909
H -4.03683999 -0.75040748 0.09021367
H -1.78643859 0.31518716 2.96302787
H -0.22817789 0.30349477 2.90551841
H -1.36987134 -2.84164401 1.07764332
H -1.37486907 -2.99907914 -0.47064103
H -1.34469173 3.01969735 0.47768156
H -1.34990831 2.86240039 -1.07059926
H -0.24767244 -0.29279238 -2.90526034
H -1.80628639 -0.29005608 -2.95373394

-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


