%chk=000120959.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000120959

0 1
 O   -3.562900      -2.477400      0.4248000    
 O   -5.504000       2.623300     -0.3570000    
 N   0.5301000     -0.6436000     -0.1319000    
 N    3.326800     -6.3100003E-02 -0.1008000    
 N    5.545300     -0.9692000     -0.1697000    
 C    1.039400      0.5208000      0.6027000    
 C    1.350100     -0.8777000      -1.327100    
 C    2.488400      0.3017000       1.045200    
 C    2.808800      -1.144400     -0.9484000    
 C  -0.8706000     -0.4442000     -0.5020000    
 C   -1.749200     -0.2925000      0.7402000    
 C    4.713700      0.1089000     -2.8800000E-02
 C   -3.200100     -0.1087000      0.3728000    
 C    5.216900       1.399000      0.1890000    
 C   -4.030300      -1.211700      0.2349000    
 C   -3.680900       1.178200      0.1770000    
 C   -5.020400       1.365800     -0.1641000    
 C   -5.369600      -1.024100     -0.1062000    
 C    6.592700       1.586000      0.2628000    
 C    6.876900     -0.7486000     -9.1799997E-02
 C   -5.864800      0.2647000     -0.3058000    
 C    7.445300      0.4969000      0.1208000    
 C   -4.495200      -3.543800      0.2596000    
 C   -4.586200       3.703800     -0.1962000    
 H   0.4860000      0.7034000       1.527100    
 H   0.9737000       1.429700     -1.0400000E-02
 H    1.299200     -1.6400000E-02  -2.007000    
 H   0.9751000      -1.749800      -1.876400    
 H    2.842800       1.220000       1.527400    
 H    2.538400     -0.4972000       1.796400    
 H    2.893400      -2.101000     -0.4169000    
 H    3.394700      -1.223000      -1.872800    
 H  -0.9847000      0.4306000      -1.156800    
 H   -1.220700      -1.313200      -1.074700    
 H   -1.472700      0.5753000       1.347600    
 H   -1.633000      -1.160300       1.402400    
 H    4.556600       2.255700      0.2869000    
 H   -2.979900       1.997300      0.2961000    
 H   -6.083900      -1.830000     -0.2337000    
 H    7.000000       2.579000      0.4275000    
 H   -6.909100      0.4058000     -0.5712000    
 H    7.498300      -1.630200     -0.2093000    
 H    8.521100      0.6193000      0.1739000    
 H   -4.869700      -3.597400     -0.7683000    
 H   -5.303600      -3.491800      0.9968000    
 H   -3.953600      -4.476600      0.4484000    
 H   -5.140100       4.628900     -0.3866000    
 H   -3.777700       3.658400     -0.9338000    
 H   -4.209700       3.762900      0.8306000    


%chk=000120959-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000120959

0 1
O -3.334273 -2.344868 0.211210
O -5.916358 2.626837 -0.469207
N 0.551149 -0.496172 0.178386
N 3.425623 -0.235250 0.265442
N 5.434204 -0.888227 -0.775296
C 1.186469 0.796259 0.522719
C 1.410025 -1.236179 -0.782095
C 2.578533 0.577746 1.152459
C 2.795663 -1.500303 -0.170630
C -0.846169 -0.350511 -0.298710
C -1.842479 -0.059935 0.856287
C 4.782771 0.003015 0.050067
C -3.274012 0.047951 0.359998
C 5.485068 1.111138 0.633825
C -4.016275 -1.120450 0.029805
C -3.894849 1.308952 0.196722
C -5.224895 1.413649 -0.280509
C -5.347619 -1.020157 -0.442615
C 6.845062 1.291525 0.328978
C 6.750759 -0.688260 -1.047936
C -5.950176 0.243910 -0.597695
C 7.510126 0.384273 -0.533941
C -4.082551 -3.575868 -0.041073
C -5.201441 3.862577 -0.153892
H 0.553833 1.333706 1.251846
H 1.298769 1.448082 -0.383114
H 1.534468 -0.673549 -1.742452
H 0.927446 -2.203880 -1.011802
H 3.039185 1.562476 1.328509
H 2.451799 0.070840 2.133588
H 2.675926 -2.172984 0.705642
H 3.472404 -1.977248 -0.895443
H -0.938636 0.448800 -1.077662
H -1.145531 -1.304191 -0.768749
H -1.565033 0.879887 1.369654
H -1.746619 -0.884521 1.584570
H 4.992151 1.806165 1.317831
H -3.319578 2.204062 0.456225
H -5.925494 -1.914758 -0.692702
H 7.388333 2.134385 0.771306
H -6.977535 0.340709 -0.961024
H 7.209382 -1.432444 -1.710995
H 8.567710 0.497043 -0.787381
H -4.400197 -3.648364 -1.100132
H -4.971514 -3.650185 0.615770
H -3.381897 -4.391930 0.190600
H -5.913117 4.672449 -0.372886
H -4.298360 3.980860 -0.785216
H -4.911151 3.902437 0.914918


