%chk=000122142.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122142

0 1
 O  -0.6924000     -0.1549000      0.4068000    
 O    2.150000       2.759900      0.3222000    
 O   0.3983000       1.794600     -0.8339000    
 O   -1.455500      -2.310400      0.1407000    
 N    3.199800     -0.3456000     -0.8103000    
 C    3.090800      0.1240000      0.5870000    
 C    2.579200      -1.681100     -0.7568000    
 C    1.615400      0.5331000      0.8254000    
 C    3.474400      -1.104400       1.422300    
 C    3.126400      -2.302000      0.5333000    
 C    1.056300      -1.449700     -0.6882000    
 C   0.6422000     -0.6277000      0.5429000    
 C    4.577600     -0.3774000      -1.294200    
 C    1.295000       1.748800     -2.7000001E-03
 C   -1.646300      -1.106100      0.2095000    
 C    1.956500       3.983100     -0.3951000    
 C   -2.989200     -0.4858000      8.2300000E-02
 C   -3.939500      -1.107900     -0.7013000    
 C   -3.245500      0.6931000      0.7519000    
 C   -5.201300     -0.5254000     -0.8207000    
 C   -4.507300       1.275500      0.6325000    
 C   -5.485200      0.6662000     -0.1538000    
 H    3.762800      0.9639000      0.7973000    
 H    2.808400      -2.291500      -1.637700    
 H    1.470600      0.8389000       1.870900    
 H    2.951900      -1.144400       2.383600    
 H    4.550500      -1.107800       1.634000    
 H    4.035200      -2.880300      0.3290000    
 H    2.410900      -2.975000       1.016700    
 H   0.7130000     -0.9525000      -1.605400    
 H   0.5923000      -2.439900     -0.6927000    
 H   0.6615000      -1.286100       1.422500    
 H    4.993800      0.6360000      -1.305900    
 H    4.603200     -0.7385000      -2.328200    
 H    5.243800      -1.009900     -0.6987000    
 H   0.9563000       4.382000     -0.2010000    
 H    2.107300       3.820900      -1.466700    
 H    2.697200       4.705300     -4.1700002E-02
 H   -3.729300      -2.033900      -1.228000    
 H   -2.506000       1.180400       1.380200    
 H   -5.962500     -0.9993000      -1.433500    
 H   -4.729700       2.201900       1.154000    
 H   -6.467800       1.119400     -0.2462000    


%chk=000122142-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122142

0 1
O -0.711187 -0.185067 0.161720
O 2.076102 2.782480 0.693009
O 0.813121 1.959687 -1.078089
O -1.522637 -2.310110 0.699337
N 3.379026 -0.213589 -0.755131
C 3.072817 -0.008096 0.692459
C 2.695982 -1.521612 -1.025253
C 1.575893 0.452110 0.777100
C 3.298266 -1.411017 1.369153
C 3.075548 -2.432904 0.201855
C 1.168533 -1.252179 -1.095269
C 0.685299 -0.693437 0.258232
C 4.824109 -0.201249 -1.076509
C 1.413715 1.756476 -0.003902
C -1.734895 -1.112990 0.374439
C 2.050647 4.111602 0.040127
C -3.078862 -0.498304 0.173749
C -4.225424 -1.278031 0.475364
C -3.227061 0.826048 -0.316223
C -5.513730 -0.734350 0.296491
C -4.519199 1.363406 -0.495823
C -5.662610 0.587557 -0.188447
H 3.710150 0.784170 1.116149
H 3.042146 -1.936555 -1.987282
H 1.331528 0.668850 1.834024
H 2.612738 -1.580873 2.218339
H 4.327458 -1.475116 1.763937
H 3.999861 -2.999986 -0.007068
H 2.282257 -3.167263 0.426777
H 0.969684 -0.510436 -1.886515
H 0.623996 -2.185885 -1.325005
H 0.671679 -1.507483 1.006580
H 5.241463 0.789385 -0.823568
H 4.951108 -0.354135 -2.162750
H 5.429425 -0.976111 -0.547238
H 1.011648 4.468142 -0.062416
H 2.510734 4.054576 -0.960903
H 2.628984 4.765887 0.707782
H -4.083427 -2.299166 0.844771
H -2.332389 1.407829 -0.556923
H -6.398728 -1.335452 0.531803
H -4.636239 2.383483 -0.877514
H -6.664426 1.009207 -0.329068


