%chk=000051538.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051538

0 1
 O   -1.408300       1.745900      0.1531000    
 O   -2.117600      0.9901000      -1.908300    
 N    2.750100       1.026400     -5.2400000E-02
 N    4.520600      -1.254900      8.7399997E-02
 C    2.667500      6.4099997E-02   1.053000    
 C    4.121600       1.093300     -0.5716000    
 C    3.149300      -1.320800      0.6073000    
 C    4.604500     -0.2913000      -1.016900    
 C    2.291400       2.347100      0.3737000    
 C   0.8311000       2.285100      0.8099000    
 C    4.977800      -2.575600     -0.3401000    
 C  -6.8400003E-02   1.795900     -0.3172000    
 C   -4.033300     -8.8999998E-03  0.5499000    
 C   -3.707400       1.324500     -9.9900000E-02
 C   -2.345100       1.321100     -0.7528000    
 C   -3.025800     -0.3405000       1.620600    
 C   -4.293500      -1.062800     -0.4956000    
 C   -1.943900      -1.128000       1.563400    
 C   -3.472900      -1.999300     -0.9896000    
 C   -1.418900      -1.817600      0.4139000    
 C   -2.078800      -2.193700     -0.6878000    
 H    1.637700     -7.8800000E-02   1.393300    
 H    3.257900      0.4021000       1.915400    
 H    4.807700       1.497900      0.1848000    
 H    4.157900       1.764900      -1.438000    
 H    3.113800      -1.993800       1.472700    
 H    2.462500      -1.724900     -0.1491000    
 H    4.011400     -0.6294000      -1.877600    
 H    5.644900     -0.2020000      -1.352700    
 H    2.903100       2.738600       1.196500    
 H    2.377900       3.057400     -0.4583000    
 H   0.6734000       1.700400       1.722400    
 H   0.5103000       3.298300       1.087800    
 H    6.016700      -2.529600     -0.6850000    
 H    4.363500      -2.985400      -1.150000    
 H    4.956200      -3.279800      0.4989000    
 H   0.2207000      0.7927000     -0.6481000    
 H  -8.1000002E-03   2.482800      -1.169800    
 H   -4.990400      0.1057000       1.079400    
 H   -3.744000       2.141000      0.6334000    
 H   -4.444700       1.590000     -0.8684000    
 H   -3.214300      0.1465000       2.577900    
 H   -5.303000      -1.044700     -0.9075000    
 H   -1.337100      -1.222000       2.461900    
 H   -3.865700      -2.664000      -1.756600    
 H  -0.3619000      -2.068400      0.4820000    
 H   -1.521500      -2.730100      -1.453400    


%chk=000051538-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051538

0 1
O -1.461276 1.881735 0.203020
O -2.272148 1.395684 -1.929459
N 2.750223 0.979838 0.052813
N 4.451520 -1.369291 0.063303
C 2.870164 0.121318 1.257215
C 4.009949 0.937369 -0.731188
C 3.201951 -1.324951 0.854937
C 4.337446 -0.508612 -1.137751
C 2.317034 2.366182 0.362354
C 0.827564 2.456279 0.766451
C 4.864803 -2.746425 -0.264912
C -0.087656 1.990295 -0.366207
C -4.106568 -0.172315 0.499889
C -3.786476 1.301571 0.019814
C -2.466137 1.508201 -0.695687
C -3.239409 -0.660666 1.653622
C -4.167027 -1.194017 -0.627094
C -1.963794 -1.165222 1.583174
C -3.107287 -1.819896 -1.237279
C -1.194112 -1.501908 0.395325
C -1.703289 -1.792007 -0.857223
H 1.913556 0.130867 1.809796
H 3.670250 0.497485 1.944465
H 4.872934 1.349636 -0.149355
H 3.881152 1.554156 -1.640351
H 3.335731 -1.940056 1.764836
H 2.335065 -1.744899 0.278423
H 3.537706 -0.875573 -1.831537
H 5.300339 -0.530194 -1.682028
H 2.942104 2.822543 1.171864
H 2.482097 2.975707 -0.548100
H 0.627654 1.841306 1.663192
H 0.591605 3.501668 1.041677
H 5.833250 -2.727971 -0.796528
H 4.126792 -3.289149 -0.909348
H 4.997670 -3.327558 0.665480
H 0.217407 0.998600 -0.742884
H -0.105543 2.697993 -1.216119
H -5.136128 -0.081256 0.899792
H -3.820772 1.955866 0.909145
H -4.587123 1.600385 -0.680745
H -3.687374 -0.563570 2.653286
H -5.172589 -1.413681 -1.013851
H -1.460336 -1.362204 2.541602
H -3.341606 -2.433398 -2.119412
H -0.111693 -1.631325 0.540146
H -0.992723 -2.123037 -1.626665


