%chk=000052542.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052542

0 1
 O    5.699100      0.7643000      0.4563000    
 O    7.390400      -1.407400     -0.2330000    
 O    4.209600       1.266600       2.091200    
 O   -2.061200      0.5604000      0.2734000    
 N    3.510500      0.5585000     -5.5599999E-02
 N   -7.576200      -2.791200       1.081700    
 C    5.648800      0.1179000     -0.8232000    
 C    4.218500      0.3042000      -1.281800    
 C    6.038100      -1.343900     -0.6512000    
 C    2.089000      0.5594000      2.8800000E-02
 C    4.418600      0.8896000      0.9468000    
 C    1.453800      0.9221000       1.220300    
 C    1.318300      0.1968000      -1.080100    
 C  -0.7026000      0.5595000      0.1930000    
 C   6.1299998E-02  0.9222000       1.302300    
 C  -7.4100003E-02  0.1969000     -0.9983000    
 C   -2.781300      0.1789000     -0.8978000    
 C    7.822500      -2.750800     -5.2000001E-02
 C   -4.253000      0.2733000     -0.6204000    
 C   -4.931000     -0.8309000     -0.1168000    
 C   -4.924600       1.464900     -0.8690000    
 C   -6.298900     -0.7423000      0.1415000    
 C   -6.292400       1.553400     -0.6107000    
 C   -6.979700      0.4498000     -0.1055000    
 C   -7.003300      -1.872200      0.6600000    
 H    6.354100      0.6211000      -1.493600    
 H    4.125400       1.192600      -1.916800    
 H    3.846000     -0.5746000      -1.815800    
 H    5.923700      -1.878000      -1.601500    
 H    5.409100      -1.823900      0.1083000    
 H    1.984800       1.212200       2.117100    
 H    1.763000     -8.4899999E-02  -2.029400    
 H  -0.4238000       1.205300       2.232500    
 H  -0.6027000     -9.6500002E-02  -1.898600    
 H   -2.542300     -0.8546000      -1.182200    
 H   -2.545900      0.8469000      -1.737100    
 H    8.868100      -2.735300      0.2669000    
 H    7.751700      -3.306000     -0.9922000    
 H    7.227900      -3.243300      0.7234000    
 H   -4.396200      -1.758200      7.7200003E-02
 H   -4.399300       2.331900      -1.259900    
 H   -6.822200       2.482000     -0.8023000    
 H   -8.045800      0.5345000      9.0999998E-02


%chk=000052542-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052542

0 1
O 5.666482 0.639408 0.430704
O 7.904538 -0.998603 -0.859324
O 4.122042 1.904175 1.641209
O -2.212526 0.760515 0.179948
N 3.443202 0.330266 -0.032632
N -8.763548 -1.850917 -1.718823
C 5.616814 -0.275810 -0.748337
C 4.122916 -0.679550 -0.863682
C 6.559037 -1.454170 -0.538293
C 2.019594 0.425345 0.024606
C 4.351517 1.049140 0.766350
C 1.367528 1.440987 0.783257
C 1.226746 -0.502445 -0.697215
C -0.818577 0.584953 0.079558
C -0.033482 1.512549 0.805672
C -0.184003 -0.427646 -0.674781
C -3.063580 -0.178827 -0.547971
C 8.928227 -1.984581 -0.514438
C -4.518351 0.190164 -0.308966
C -5.527077 -0.627938 -0.865944
C -4.885667 1.328330 0.447819
C -6.897378 -0.311124 -0.670569
C -6.250296 1.644113 0.643604
C -7.261250 0.834442 0.090504
C -7.917480 -1.152125 -1.242703
H 5.955245 0.310248 -1.621148
H 3.778546 -0.638645 -1.911673
H 3.936697 -1.701202 -0.471826
H 6.262073 -2.292858 -1.212296
H 6.485582 -1.804857 0.514695
H 1.963393 2.154306 1.355453
H 1.692231 -1.299682 -1.284211
H -0.538743 2.289234 1.387618
H -0.758402 -1.162858 -1.245555
H -2.868248 -1.215050 -0.197871
H -2.829625 -0.133599 -1.633570
H 9.892262 -1.533323 -0.793973
H 8.788475 -2.933685 -1.075331
H 8.925840 -2.204267 0.573544
H -5.264366 -1.515479 -1.453739
H -4.098087 1.952122 0.877103
H -6.523778 2.526477 1.231366
H -8.318726 1.073667 0.238759


