%chk=000128627.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128627

0 1
 O   -5.687200       2.315000     -0.8649000    
 O   -6.303500      -1.808800       1.089800    
 N   0.5291000     -0.8194000     -1.0800000E-02
 N    3.303800     -0.1461000      7.2800003E-02
 N   -5.604800      0.2703000      0.2654000    
 N   -7.673200     -0.4448000     -0.2145000    
 C    1.480300      -1.478700     -0.9141000    
 C   0.9509000      0.5650000      0.2345000    
 C    2.886100      -1.500900     -0.3097000    
 C    2.339700      0.6116000      0.8764000    
 C  -0.8202000     -0.8526000     -0.5740000    
 C   -1.817800     -0.2291000      0.4018000    
 C   -3.240200     -0.2624000     -0.1669000    
 C    4.673300      0.1048000      0.2128000    
 C   -4.270000      0.3233000      0.7939000    
 C    5.558700     -7.4199997E-02 -0.8688000    
 C    5.208300      0.5459000       1.439600    
 C   -6.190400       1.257900     -0.5085000    
 C    6.923400      0.1776000     -0.7293000    
 C   -6.494300     -0.7787000      0.4567000    
 C   -7.596600      0.8322000     -0.8679000    
 C    6.573100      0.7977000       1.579200    
 C    7.430800      0.6136000      0.4947000    
 C    7.840800     -1.9400001E-02  -1.888300    
 H    1.507600     -0.9704000      -1.887500    
 H    1.169800      -2.514800      -1.095200    
 H   0.3006000       1.082200      0.9440000    
 H   0.9550000       1.144000     -0.6988000    
 H    3.567200      -1.941800      -1.046600    
 H    2.906100      -2.147900      0.5769000    
 H    2.292500      0.1955000       1.891100    
 H    2.644100       1.662900      0.9548000    
 H   -1.115500      -1.893600     -0.7559000    
 H  -0.8612000     -0.3295000      -1.538400    
 H   -1.602900      0.8242000      0.6006000    
 H   -1.790900     -0.7617000       1.360500    
 H   -3.514000      -1.298600     -0.4033000    
 H   -3.269700      0.2889000      -1.115400    
 H   -4.021400       1.369400       1.005800    
 H   -4.248000     -0.2313000       1.739000    
 H    5.171900     -0.3997000      -1.832800    
 H    4.573200      0.6887000       2.310300    
 H   -8.340100       1.508700     -0.4435000    
 H   -7.712100      0.7026000      -1.945100    
 H    6.968600       1.134800       2.532900    
 H   -8.492900      -1.043000     -0.2355000    
 H    8.491900      0.8146000      0.6162000    
 H    8.858200     -0.2514000      -1.555300    
 H    7.872100      0.8870000      -2.500900    
 H    7.510300     -0.8561000      -2.513200    


%chk=000128627-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128627

0 1
O -6.071116 2.349856 -0.094502
O -6.167190 -2.322240 0.530708
N 0.526267 -0.441698 -0.202543
N 3.385932 0.044058 -0.019166
N -5.785456 0.035991 0.350803
N -7.771435 -0.785545 -0.332958
C 1.472326 -1.075067 -1.153571
C 1.054949 0.883940 0.197440
C 2.850703 -1.251802 -0.497493
C 2.439371 0.757420 0.859590
C -0.856356 -0.383358 -0.738456
C -1.919443 -0.133004 0.351093
C -3.351313 -0.167873 -0.227467
C 4.781632 0.202706 0.184622
C -4.411273 0.050108 0.875011
C 5.723733 -0.397755 -0.707837
C 5.297942 0.993604 1.254817
C -6.484381 1.164300 -0.091733
C 7.116208 -0.222388 -0.557430
C -6.552182 -1.172237 0.211119
C -7.863693 0.658882 -0.566974
C 6.689706 1.175910 1.401409
C 7.603939 0.575746 0.511975
C 8.083510 -0.852147 -1.547738
H 1.588393 -0.466367 -2.087040
H 1.079222 -2.069341 -1.436565
H 0.365403 1.352064 0.921827
H 1.139075 1.565404 -0.688765
H 3.540617 -1.698650 -1.229325
H 2.749501 -1.962633 0.354556
H 2.328015 0.239866 1.841108
H 2.819505 1.776344 1.047567
H -1.068381 -1.361324 -1.213657
H -0.956378 0.394049 -1.541154
H -1.750261 0.848226 0.837613
H -1.801893 -0.906780 1.134224
H -3.535462 -1.144895 -0.715221
H -3.466062 0.617063 -1.000448
H -4.258537 1.028977 1.364710
H -4.338145 -0.749066 1.634295
H 5.368960 -0.991760 -1.557260
H 4.628024 1.446020 1.990985
H -8.662408 1.143830 0.024538
H -8.010464 0.917454 -1.632038
H 7.060107 1.783284 2.235960
H -8.504205 -1.463925 -0.526214
H 8.682978 0.718340 0.642560
H 8.935749 -1.327656 -1.028413
H 8.504063 -0.090639 -2.232762
H 7.590704 -1.621790 -2.167197


