%chk=000054718.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054718

0 1
 O  -0.8494000      -2.343200       1.006100    
 O   -5.927100     -0.6553000     -0.5700000    
 O    1.699800       5.379700     -0.5087000    
 N   -1.236400     -2.4499999E-02   1.153300    
 N   -3.570400      0.1587000      0.8029000    
 C   0.8272000     -0.7270000      0.1375000    
 C   0.6625000      0.7920000      0.1788000    
 C  -0.5194000      -1.179500      0.8175000    
 C  -0.5506000       1.134700      0.7783000    
 C   -2.524800     -2.9999999E-02   1.806200    
 C    1.985400      -1.197100      0.9525000    
 C   0.8893000      -1.257100      -1.256200    
 C    1.514400       1.784100     -0.2913000    
 C  -0.9439000       2.454200      0.9347000    
 C   -3.547400     -0.9283000     -0.1856000    
 C   -4.894100      0.2349000       1.436800    
 C    1.132700       3.119700     -0.1417000    
 C    3.286200     -0.8815000      0.5613000    
 C    1.491300      -2.490000      -1.506200    
 C    1.766400      -1.952000       2.104400    
 C   0.3459000     -0.5194000      -2.307200    
 C  -8.6999997E-02   3.451800      0.4673000    
 C   -4.654200     -0.7157000      -1.214500    
 C   -5.969600      0.4190000      0.3699000    
 C    4.369000      -1.320900       1.322900    
 C    1.549500      -2.985500      -2.808800    
 C    2.849300      -2.391400       2.866000    
 C   0.4043000      -1.014900      -3.609800    
 C    2.008100       4.176900     -0.6236000    
 C    4.150600      -2.075900       2.475400    
 C    1.006000      -2.248000      -3.860600    
 C    3.336400       3.831400      -1.287500    
 H   -2.541300      0.7659000       2.559700    
 H   -2.651400     -0.9837000       2.334400    
 H    2.438200       1.509300     -0.7825000    
 H   -1.885700       2.725200       1.398200    
 H   -2.608900     -0.9542000     -0.7465000    
 H   -3.688400      -1.899500      0.3060000    
 H   -5.096800     -0.6825000       2.004700    
 H   -4.934100       1.081100       2.132000    
 H    3.497100     -0.3233000     -0.3448000    
 H    1.895800      -3.117600     -0.7179000    
 H   0.7971000      -2.205200       2.510800    
 H  -0.1652000      0.4274000      -2.165800    
 H  -0.3898000       4.489500      0.5855000    
 H   -4.494900      0.1997000      -1.797400    
 H   -4.677000      -1.555400      -1.916600    
 H   -6.960500      0.4151000      0.8351000    
 H   -5.855400       1.373100     -0.1591000    
 H    5.382600      -1.081100       1.015300    
 H    2.010200      -3.949600      -3.003600    
 H    2.680500      -2.970800       3.769200    
 H  -2.6600000E-02 -0.4451000      -4.428000    
 H    4.993800      -2.417200       3.068800    
 H    1.047900      -2.635700      -4.874300    
 H    3.164700       3.252900      -2.198900    
 H    3.979800       3.289900     -0.5892000    
 H    3.847900       4.758100      -1.567100    


%chk=000054718-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054718

0 1
O -0.639365 -2.597973 1.115784
O -6.112814 -0.049501 -0.739846
O 1.363513 5.445644 -0.256167
N -1.243557 -0.313156 1.072736
N -3.633062 -0.003101 0.750208
C 0.920923 -0.840421 0.153394
C 0.664802 0.669331 0.201378
C -0.377494 -1.402537 0.836356
C -0.634200 0.914767 0.720916
C -2.574576 -0.462338 1.668909
C 2.195017 -1.204764 0.944374
C 0.925431 -1.423831 -1.284191
C 1.487672 1.741094 -0.156016
C -1.148770 2.220527 0.856724
C -3.784448 -0.864886 -0.453413
C -4.937721 0.192004 1.433941
C 1.002984 3.075346 -0.015343
C 3.455928 -1.182515 0.295455
C 1.179304 -2.810923 -1.452102
C 2.149056 -1.469843 2.335587
C 0.633054 -0.637223 -2.424931
C -0.313691 3.291411 0.483439
C -4.811480 -0.235053 -1.406257
C -5.944479 0.805369 0.445164
C 4.643936 -1.415693 1.021431
C 1.154158 -3.393411 -2.735769
C 3.336834 -1.706347 3.062273
C 0.610007 -1.222613 -3.712746
C 1.830756 4.272469 -0.375794
C 4.590039 -1.676696 2.410018
C 0.871638 -2.600928 -3.874009
C 3.252180 4.057879 -0.889572
H -2.636798 0.148991 2.590214
H -2.658837 -1.538298 1.947738
H 2.497945 1.550245 -0.531888
H -2.166984 2.388728 1.215393
H -2.808721 -0.948318 -0.965827
H -4.116010 -1.894376 -0.173792
H -5.351193 -0.771679 1.821577
H -4.799936 0.876953 2.293293
H 3.505665 -1.003488 -0.784754
H 1.382842 -3.429027 -0.571567
H 1.185951 -1.510180 2.855676
H 0.427258 0.432588 -2.316011
H -0.656810 4.328123 0.567649
H -4.433034 0.745570 -1.766641
H -5.011934 -0.895392 -2.265433
H -6.946523 0.885124 0.897733
H -5.591373 1.812843 0.135327
H 5.609141 -1.399146 0.502840
H 1.351493 -4.465237 -2.848386
H 3.282970 -1.917696 4.136090
H 0.386586 -0.599748 -4.586286
H 5.511036 -1.861658 2.973849
H 0.853546 -3.053644 -4.871684
H 3.253886 3.458342 -1.819290
H 3.867310 3.517273 -0.146165
H 3.710547 5.037217 -1.093489


