%mem=3200MB
%nprocshared=24
#p opt=(z-matrix,maxcycles=500) freq=noraman b3lyp/genecp 5d 7f
empiricaldispersion=gd3 scf=(xqc,maxcyc=1000,conver=8,nosym)

Optimization of Co(NH3)5 3+ - H2eat1

3 1
 Co                 0.00088400    0.00014400   -0.17567700
 N                 -2.03358900    0.06921200   -0.22538900
 N                  0.04491700   -0.14651600    1.79449300
 N                  2.03069300   -0.00229700   -0.31314700
 N                  0.03860500    2.02199600   -0.10168900
 N                 -0.04381200   -2.01691700   -0.32305500
 H                 -2.47410600   -0.76462900   -0.63825300
 H                 -2.48556500    0.17817200    0.69225600
 H                 -2.40430200    0.84991900   -0.78578300
 H                  0.85060400   -0.67963100    2.14926800
 H                  0.08624700    0.75965400    2.28132800
 H                 -0.77449000   -0.62690300    2.19047000
 H                  2.40000100    0.74326000   -0.92060800
 H                  2.52221500    0.13080800    0.58055700
 H                  2.42953500   -0.86532700   -0.70778200
 H                  0.01800300    2.46421100   -1.03239800
 H                 -0.75465800    2.44143800    0.40142100
 H                  0.87326900    2.41646700    0.35224600
 H                 -0.08267700   -2.35329900   -1.29654600
 H                  0.77235000   -2.49299100    0.08338000
 H                 -0.85039800   -2.45920600    0.13706400
 H                  1           B21    4           A20    6           D19    0
 H                  22          B22   1           A21    6           D20    0

B21 1.78140 
A20  95.67163
D19  -102.54961
B22  0.73813 
A21   178.99994 -1
D20   73.38813
 
-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


