%chk=000059133.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059133

0 1
 O   -3.866600     -0.9324000      0.6772000    
 O    4.405000     -0.3682000       1.298700    
 N    2.401900     -0.4165000      0.2043000    
 N    4.470700     -0.2041000     -0.9771000    
 C   8.9400001E-02 -0.4885000     -0.5099000    
 C  -0.6707000      0.6657000     -0.2599000    
 C   -2.020000      0.5314000      0.1455000    
 C    1.521700     -0.4180000     -0.9413000    
 C   -2.569400     -0.7532000      0.2889000    
 C  -0.4726000      -1.756900     -0.3622000    
 C   -1.799500      -1.889000      3.6400001E-02
 C  -0.1214000       1.950200     -0.4035000    
 C   -2.780200       1.685400      0.3954000    
 C    3.756700     -0.3223000      9.9299997E-02
 C  -0.8914000       3.085900     -0.1509000    
 C   -2.218200       2.953800      0.2477000    
 C    5.779000     -0.4869000      0.9660000    
 C    5.844600     -7.4100003E-02 -0.4833000    
 C   -4.719800      -1.627900     -0.2270000    
 C   -6.139200      -1.134200     -4.4300001E-02
 H    1.753100      -1.293900      -1.562600    
 H    1.716800      0.4364000      -1.597700    
 H   0.1132000      -2.653300     -0.5493000    
 H   -2.217100      -2.884900      0.1567000    
 H   0.9109000       2.117600     -0.6948000    
 H    1.988200     -0.5075000       1.128200    
 H   -3.819800       1.617500      0.7083000    
 H  -0.4540000       4.073900     -0.2617000    
 H    6.089100      -1.526800       1.113400    
 H    6.384300      0.1589000       1.608600    
 H    6.168700      0.9676000     -0.5845000    
 H    6.537400     -0.7032000      -1.050100    
 H   -2.816600       3.838500      0.4450000    
 H   -4.412300      -1.461200      -1.267000    
 H   -4.670700      -2.700800     -1.1300000E-02
 H   -6.824900      -1.657000     -0.7168000    
 H   -6.471200      -1.287400      0.9879000    
 H   -6.201300     -5.9000000E-02 -0.2420000    


%chk=000059133-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059133

0 1
O -3.968358 -0.368225 0.077529
O 4.312532 -0.728484 1.303747
N 2.475460 -1.331142 -0.016284
N 3.915498 0.488917 -0.667396
C 0.134253 -1.041491 -0.872937
C -0.330985 0.273896 -0.485721
C -1.730958 0.470419 -0.168629
C 1.596644 -1.310865 -1.204760
C -2.635718 -0.654149 -0.250581
C -0.787612 -2.089429 -0.945510
C -2.171154 -1.915665 -0.638272
C 0.545776 1.409268 -0.413548
C -2.200453 1.767812 0.211371
C 3.539532 -0.484762 0.130000
C 0.060472 2.667493 -0.044693
C -1.319570 2.850782 0.273898
C 5.338820 0.362981 1.310673
C 5.175824 1.049953 -0.090566
C -4.947595 -1.470477 0.012172
C -6.297841 -0.889434 0.422545
H 1.670462 -2.286745 -1.723245
H 2.014461 -0.545796 -1.881606
H -0.442297 -3.085050 -1.251767
H -2.844521 -2.773364 -0.714246
H 1.609352 1.292946 -0.652281
H 2.245116 -1.943332 0.765501
H -3.261310 1.888906 0.446911
H 0.745572 3.521757 -0.001489
H 6.320952 -0.110341 1.467505
H 5.101713 1.036708 2.152426
H 5.098257 2.147789 0.000115
H 6.028343 0.824105 -0.759307
H -1.685949 3.842023 0.563410
H -4.977385 -1.872920 -1.021348
H -4.631031 -2.282586 0.698719
H -7.073523 -1.676166 0.392270
H -6.251959 -0.482697 1.447137
H -6.597021 -0.077036 -0.261445


