%chk=000121477.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121477

0 1
 O    3.616900     -0.7710000      -1.318500    
 O   -1.625700      7.6700002E-02 -0.9336000    
 O   -3.005600       1.822300      0.5989000    
 N    3.287200      -1.688100       1.293700    
 C    1.283400     -0.3832000     -0.7013000    
 C    2.755200      3.5300002E-02 -0.5016000    
 C    2.925900     -0.2955000       1.017500    
 C    1.186800      -1.930500     -0.2737000    
 C   0.9099000     -0.2096000      -2.196500    
 C    3.031800       1.478700     -0.9935000    
 C   0.4297000      0.5514000      0.2639000    
 C    2.497700      0.9154000       1.854600    
 C    2.515500      -2.575300      0.3592000    
 C    1.197800       1.200300      -2.727200    
 C    2.637600       1.641200      -2.467600    
 C    1.028500       1.211700       1.414700    
 C  -0.9352000      0.7583000      2.3499999E-02
 C    4.710400      -1.953600       1.335600    
 C   0.2671000       2.080500       2.203400    
 C   -1.676000       1.622900      0.8343000    
 C   -1.078000       2.287400       1.906400    
 C   -2.700300     -0.6936000     -0.5241000    
 C   -3.352300       2.883700     -0.2863000    
 C   -2.563200      -1.505900      0.5874000    
 C   -3.884400     -0.6326000      -1.237100    
 C   -3.645800      -2.282900      0.9995000    
 C   -4.967000      -1.409500     -0.8249000    
 C   -4.847700      -2.234700      0.2934000    
 H    3.970700      6.2700003E-02   1.072600    
 H   0.8961000      -2.545700      -1.133500    
 H   0.3978000      -2.045500      0.4754000    
 H  -0.1211000     -0.4838000      -2.422500    
 H    1.484600     -0.9206000      -2.804400    
 H    4.102600       1.699200     -0.8986000    
 H    2.504100       2.248300     -0.4252000    
 H    3.114600       1.811100       1.716800    
 H    2.500100      0.6459000       2.917100    
 H    2.226400      -3.479600      0.9076000    
 H    3.152100      -2.915800     -0.4669000    
 H   0.5097000       1.920900      -2.270700    
 H    1.001500       1.228000      -3.805500    
 H    3.323000       1.088800      -3.119800    
 H    2.745800       2.695300      -2.751100    
 H    3.356700     -0.7334000      -2.249400    
 H    5.220700      -1.746900      0.3892000    
 H    4.885700      -3.007600       1.580100    
 H    5.198100      -1.375000       2.128900    
 H   0.7099000       2.578800       3.061400    
 H   -1.665400       2.955400       2.531300    
 H   -4.439000       2.888500     -0.4067000    
 H   -2.892400       2.736500      -1.268700    
 H   -3.042300       3.846500      0.1321000    
 H   -1.644400      -1.564800       1.159300    
 H   -3.978600      9.4999997E-03  -2.107700    
 H   -3.553400      -2.925000       1.870600    
 H   -5.902900      -1.371700      -1.374600    
 H   -5.690900      -2.839400      0.6144000    


%chk=000121477-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121477

0 1
O 3.517015 -0.890127 -1.690410
O -1.668629 0.317433 -0.746589
O -2.851462 2.012198 1.203860
N 2.722286 -1.487048 1.145793
C 1.248362 -0.154591 -0.885910
C 2.800125 0.086085 -0.829079
C 3.279017 -0.210720 0.607396
C 0.957908 -1.680235 -0.612243
C 0.762120 0.216466 -2.328474
C 3.198283 1.514127 -1.296856
C 0.574006 0.704227 0.224627
C 2.804587 0.938841 1.520961
C 2.081294 -2.399564 0.173570
C 1.146406 1.644376 -2.773061
C 2.678075 1.839600 -2.716811
C 1.322436 1.244355 1.319574
C -0.834783 0.930864 0.238722
C 3.652281 -2.169445 2.058302
C 0.680711 2.042175 2.297898
C -1.459972 1.785979 1.187539
C -0.689831 2.345367 2.226086
C -2.578598 -0.701365 -0.350031
C -3.428085 2.652241 0.002479
C -2.598166 -1.278802 0.939274
C -3.461206 -1.141750 -1.361759
C -3.521955 -2.313043 1.208221
C -4.377017 -2.177036 -1.076097
C -4.412898 -2.768648 0.209124
H 4.392451 -0.243510 0.582466
H 0.816638 -2.202388 -1.577333
H 0.006062 -1.764302 -0.061293
H -0.325190 0.068665 -2.399766
H 1.221907 -0.512091 -3.031501
H 4.301407 1.595945 -1.250166
H 2.776372 2.272079 -0.614578
H 3.419591 1.847966 1.364996
H 2.960076 0.635678 2.573331
H 1.640506 -3.235698 0.751451
H 2.820516 -2.831900 -0.537561
H 0.656239 2.386044 -2.111024
H 0.768646 1.830067 -3.797051
H 3.166113 1.193369 -3.478910
H 2.954860 2.877938 -2.980801
H 3.292479 -0.695574 -2.635298
H 4.544641 -2.601971 1.539221
H 3.128237 -2.991881 2.579451
H 4.019314 -1.465673 2.828620
H 1.276176 2.434118 3.131203
H -1.187441 2.980971 2.964511
H -4.509490 2.707869 0.198093
H -3.235171 2.054157 -0.904906
H -3.012772 3.671106 -0.121891
H -1.918661 -0.922252 1.718833
H -3.415901 -0.676416 -2.351552
H -3.543410 -2.761327 2.207847
H -5.061592 -2.521348 -1.859359
H -5.124918 -3.571203 0.428460


