%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
N -0.00003745 0.7509995 -0.00346416
C 1.16029018 1.4524858 -0.01380589
C 1.20310665 2.84384312 -0.01014709
C 0.004899 3.56306045 0.00480327
C -1.1957749 2.84800505 0.0154263
C -1.15782514 1.45644126 0.0107342
H 2.06648389 0.85730142 -0.02517485
H 2.1642699 3.34904294 -0.0189758
H 0.00680285 4.64950326 0.00805408
H -2.15518368 3.35646788 0.0273001
H -2.06605526 0.8643483 0.01847399
Ni -0.00129901 -1.12902137 -0.00226646
P -0.00243731 -3.19393247 0.00526192
H 1.20406039 -3.92946299 0.17851301
H -0.75926994 -3.91846749 0.96888274
H -0.46250217 -3.92490667 -1.12611536

-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


