%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
N 1.02395599 0.00115693 -0.00968919
C 1.51796552 0.00325844 -1.41045487
C 1.51521882 1.21242651 0.70491444
C 1.51238298 -1.21495096 0.69918926
H 2.6183728 -0.00233351 -1.40726405
H 1.13761595 0.88894628 -1.91983252
H 1.1280593 -0.87597622 -1.92373992
H 2.61487183 1.19375354 0.72930801
H 1.10481741 1.20318127 1.7155535
H 1.14932021 2.09992599 0.1902117
H 2.61182105 -1.19516361 0.72977845
H 1.15005815 -2.09852749 0.17531319
H 1.09476502 -1.21279001 1.70686468
Pt -1.1241179 0.00021158 0.00838946
F -3.07922794 -0.00373508 0.08560046
F -1.19414821 0.02142714 -1.96684323
F -0.95269354 -0.02114266 1.98695825
F -1.09949908 1.98080109 0.01049535
F -1.09175245 -1.98075829 -0.0332745

-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


