%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
C 1.12047753 -0.19147685 0.0022398
N 1.70454414 -1.40468461 -0.00250689
C 3.08524986 -1.30807525 -0.00038888
C 3.37118487 0.02484584 0.00663733
N 2.14927095 0.67929111 0.00797755
H 3.73142751 -2.17187862 -0.00378432
H 4.31406332 0.54915681 0.01048878
H 1.1514516 -2.25802432 -0.00847671
H 2.01861587 1.68344945 0.01208924
Ga -0.92525861 0.10897372 0.00050015
Cl -1.39048239 1.21122705 1.86011667
Cl -1.37645181 1.25850709 -1.83389422
Cl -1.56808715 -2.03649617 -0.02633817

-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


