%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
B 1.12597429 0.21042396 -0.15240259
O 1.85203461 0.21314783 0.95671574
C 3.24983634 0.27371528 0.45460991
C 3.11915112 0.3116431 -1.10125697
O 1.65700418 0.26855578 -1.36563748
H 3.75998774 -0.61526053 0.82722456
H 3.69755688 1.17426095 0.87656705
H 3.49309154 1.23374365 -1.54778838
H 3.55721666 -0.55574222 -1.59633388
Os -1.11146101 -0.00961759 0.02980325
O -1.17423828 -1.70828855 -0.01072417
O -1.35386307 0.75816131 1.52453169
O -1.59575539 0.83613125 -1.36040985

-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


