%chk=000063952.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063952

0 1
 O  -4.9699999E-02  -1.368600     -0.8474000    
 O    5.771800      -2.323100       1.155300    
 O   -6.895200      -1.630900     -0.7098000    
 O    6.761500       1.994900      -1.047300    
 N   -1.217600       1.052500      0.1892000    
 N    5.707300      0.1443000     -0.1719000    
 C   -1.853000       1.817100       1.251600    
 C   0.7769000     -0.2517000     -0.4985000    
 C   9.4899997E-02  0.5692000      0.6119000    
 C   -3.198700       2.372900      0.7514000    
 C    2.120800     -0.7563000     -8.0100000E-02
 C    3.296500     -4.4100001E-02 -0.3335000    
 C   -2.011600      0.9074000       2.470100    
 C   -4.187900       1.301300      0.3604000    
 C    4.524000     -0.5723000      8.3200000E-02
 C    2.177700      -1.983600      0.5839000    
 C    4.582900      -1.798900      0.7471000    
 C    3.278800       1.242600      -1.025300    
 C    3.405400      -2.503200      0.9964000    
 C   -4.205300      0.8374000     -0.9448000    
 C   -5.059800      0.8019000       1.314600    
 C    4.416400       1.907100      -1.257900    
 C    5.731600       1.362600     -0.8225000    
 C   -5.119300     -0.1524000      -1.306100    
 C   -5.973800     -0.1881000      0.9535000    
 C   -6.003400     -0.6654000     -0.3569000    
 C   -6.871300      -2.072400      -2.066500    
 H   -1.227700       2.676500       1.526100    
 H   0.8401000      0.3300000      -1.422300    
 H   0.7377000       1.410400      0.8996000    
 H   4.0000002E-03 -0.1006000       1.473000    
 H   -3.033100       3.044700     -0.1023000    
 H   -3.643000       3.007300       1.530300    
 H   -1.113800       1.633300     -0.6425000    
 H   -1.070400      0.7882000       3.017700    
 H   -2.389400     -8.9199997E-02   2.214700    
 H   -2.709600       1.353200       3.188400    
 H    1.280200      -2.553000      0.8110000    
 H    2.350400       1.697600      -1.343300    
 H    3.429000      -3.458200       1.514900    
 H  -0.9313000      -1.020500      -1.065600    
 H   -3.525500       1.233500      -1.693900    
 H   -5.052000       1.170000       2.336200    
 H    6.585100     -0.2605000      0.1411000    
 H    4.412400       2.867000      -1.762300    
 H   -5.089000     -0.4765000      -2.340800    
 H   -6.661200     -0.5824000       1.696800    
 H    5.609100      -3.175700       1.594200    
 H   -5.915800      -2.544500      -2.319300    
 H   -7.130300      -1.263200      -2.757600    
 H   -7.644500      -2.840800      -2.169900    


%chk=000063952-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063952

0 1
O -0.402103 -0.814863 -0.728302
O 5.555157 -2.657093 0.856628
O -6.795746 -1.913878 -0.675925
O 7.151198 1.587833 -0.723462
N -1.103417 1.555234 0.267052
N 5.704929 -0.153106 -0.136896
C -1.941974 2.028396 1.409657
C 0.704966 0.125246 -0.593650
C 0.303226 1.158404 0.515649
C -3.339586 2.457444 0.854349
C 1.985320 -0.621654 -0.244244
C 3.272804 -0.006003 -0.395831
C -2.061169 0.951787 2.506272
C -4.242696 1.318350 0.402495
C 4.443431 -0.730390 -0.007827
C 1.903376 -1.930124 0.261596
C 4.329763 -2.049623 0.511951
C 3.491891 1.326137 -0.934760
C 3.068662 -2.647547 0.641013
C -4.067173 0.673130 -0.846358
C -5.292887 0.853473 1.240806
C 4.753553 1.868361 -1.054083
C 5.963733 1.141675 -0.644524
C -4.887408 -0.405364 -1.249728
C -6.123329 -0.216441 0.859174
C -5.918795 -0.855150 -0.388963
C -6.612596 -2.614937 -1.948791
H -1.491667 2.942435 1.868905
H 0.838948 0.673296 -1.555083
H 1.016500 2.010322 0.539612
H 0.358488 0.645821 1.489854
H -3.169954 3.169045 0.018843
H -3.844018 3.032582 1.653770
H -1.167666 2.218209 -0.519963
H -1.097877 0.765685 3.012546
H -2.425668 0.001559 2.080143
H -2.778674 1.284157 3.277744
H 0.915242 -2.390371 0.334504
H 2.628705 1.912375 -1.268272
H 2.978825 -3.670129 1.029076
H -1.205153 -0.258663 -0.465320
H -3.278861 1.015522 -1.526172
H -5.464499 1.340009 2.208879
H 6.516779 -0.709021 0.154323
H 4.918436 2.867304 -1.466963
H -4.713561 -0.877027 -2.221520
H -6.932266 -0.572079 1.504668
H 5.421320 -3.572050 1.202405
H -5.608470 -3.077524 -2.013184
H -6.763132 -1.934642 -2.809797
H -7.383609 -3.399314 -1.957997


