! easymecp: with_freq=yes
%nprocshared=12
%mem=12GB
%chk=ooh_5.chk
#p force gen scrf=(SMD,solvent=h2o) integral=grid=ultrafine TPSSh pop=(cm5,full,orbitals=100) scf=(xqc,intrep,maxconventionalcycle=150)

ooh-mecp

0 5
  27   -2.37592291   -0.05103128   -0.02441762
  26    2.73693192    0.01616394   -0.02110285
   7   -2.36574504   -1.26359508    1.62250417
   7   -2.31610377   -1.73143066   -1.20310407
   7   -2.43154471    1.59556150    1.16619606
   7   -4.40299434   -0.08023316    0.00050964
   7   -0.38491899   -0.04154231   -0.03733401
   7    2.75638117   -2.55046510   -1.78114391
   7    2.72739204   -1.74081137    2.54765211
   7    5.83385417    0.08149293   -0.01597828
   7    2.66812514    2.58084939    1.74090655
   7    2.65082583    1.77364190   -2.58820821
   6   -2.34718945   -1.93539737    2.55829009
   6   -2.29095732   -2.66635389   -1.87596844
   6   -2.42416363    2.55323260    1.80652206
   6   -5.55436383   -0.08600364   -0.02551115
   6    0.77989930   -0.02079754   -0.02814943
   6    2.75203006   -1.58452156   -1.11485141
   6    2.72818972   -1.07646976    1.58002197
   6    2.69242163    1.61583623    1.07352755
   6    4.66019855    0.05693627   -0.01793702
   6    2.67815786    1.10817596   -1.62191254
   8   -2.36723884    0.99502348   -1.60012593
   8   -3.23780275    2.01636146   -1.64654814
   1   -2.41749931    3.45642129    2.41078332
   1   -6.64106790   -0.09064291   -0.05024324
   1   -2.26562442   -3.54563199   -2.51355585
   1   -2.32854239   -2.57037719    3.44003969
   1   -2.71032569    2.81918648   -1.41799141

Fe Co 0
Def2TZVP
****
N C O H 0
Def2SVP
****