%chk=000058869.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058869

0 1
 O  -0.3845000      0.4369000     -0.7762000    
 O    2.256900      -1.959600     -0.9020000    
 O    1.222900     -8.3300002E-02  -2.335100    
 N   -4.389000       1.645400     -3.0500000E-02
 C   -2.127500       2.059300     -0.9676000    
 C   -1.700400       2.730100      0.3425000    
 C   -3.239800       1.028700     -0.7099000    
 C   -2.914000       3.291300       1.076000    
 C   -3.994400       2.225800       1.260000    
 C  -0.9300000       1.404300      -1.653300    
 C   -5.459700      0.6659000      0.1554000    
 C    1.191400      -1.290000     -0.2109000    
 C   0.7086000     -0.2548000      -1.235400    
 C    1.803000     -0.5935000       1.034600    
 C   6.6900000E-02  -2.277400      9.6100003E-02
 C    2.917900      0.3854000      0.7307000    
 C  -0.4528000      -3.029100     -0.9342000    
 C  -0.3873000      -2.380400       1.392200    
 C    4.224100     -6.9200002E-02  0.6963000    
 C    2.604700       1.712400      0.4949000    
 C   -1.479800      -3.930400     -0.6539000    
 C   -1.414000      -3.282000       1.672600    
 C   -1.960200      -4.057100      0.6496000    
 C    5.250900      0.8327000      0.4167000    
 C    3.631500       2.614100      0.2151000    
 C    4.954600       2.174300      0.1760000    
 H   -2.521100       2.832000      -1.642400    
 H  -0.9853000       3.536300      0.1410000    
 H   -1.195500       2.013000       1.001700    
 H   -2.857000      0.1872000     -0.1169000    
 H   -3.564800      0.6211000      -1.675700    
 H   -3.323900       4.137700      0.5104000    
 H   -2.607300       3.679800       2.053800    
 H   -4.862300       2.698600       1.735500    
 H   -3.631400       1.447400       1.944300    
 H   -1.245000      0.9248000      -2.587700    
 H  -0.1715000       2.162100      -1.883700    
 H   -6.335400       1.135900      0.6165000    
 H   -5.789900      0.2688000     -0.8109000    
 H   -5.147300     -0.1748000      0.7854000    
 H    2.206500      -1.348200       1.724500    
 H    1.032900     -4.2399999E-02   1.591500    
 H    1.903800      -2.449100      -1.662000    
 H  -0.1060000      -2.937200      -1.958300    
 H  -1.5000000E-03  -1.804900       2.224100    
 H    4.465400      -1.111600      0.8823000    
 H    1.579900       2.069200      0.5299000    
 H   -1.908000      -4.531100      -1.450900    
 H   -1.789300      -3.380700       2.687100    
 H   -2.760600      -4.758100      0.8675000    
 H    6.281100      0.4902000      0.3863000    
 H    3.400700       3.659000      2.9200001E-02
 H    5.754100       2.876600     -4.1499998E-02


%chk=000058869-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058869

0 1
O -0.297536 0.428369 -0.716449
O 2.266579 -2.148252 -1.129298
O 0.996187 -0.268995 -2.517591
N -4.345669 1.918170 0.041524
C -2.012228 2.191230 -0.793545
C -1.585554 2.768808 0.578648
C -3.213068 1.231618 -0.622662
C -2.795091 3.421275 1.283727
C -3.968639 2.426631 1.382839
C -0.858958 1.541962 -1.558349
C -5.552561 1.069496 0.086373
C 1.196220 -1.486881 -0.386966
C 0.623749 -0.388997 -1.322248
C 1.813482 -0.846983 0.905403
C 0.104137 -2.518282 -0.016020
C 2.821877 0.259373 0.638363
C 0.262333 -3.869403 -0.406997
C -1.038624 -2.146819 0.738767
C 4.124528 -0.043353 0.161682
C 2.479575 1.618619 0.861030
C -0.708019 -4.834359 -0.053789
C -2.006597 -3.112309 1.090832
C -1.846035 -4.461167 0.696307
C 5.057902 0.987281 -0.087624
C 3.412831 2.651667 0.615538
C 4.706388 2.338867 0.138391
H -2.361861 3.034183 -1.427021
H -0.768333 3.504973 0.447086
H -1.187604 1.947395 1.207625
H -2.883560 0.327898 -0.045722
H -3.555155 0.879327 -1.615093
H -3.127972 4.308562 0.711624
H -2.512815 3.761713 2.298224
H -4.852415 2.922951 1.825590
H -3.680474 1.584585 2.069734
H -1.181013 1.108687 -2.522739
H -0.033030 2.252781 -1.744646
H -6.391081 1.637079 0.528059
H -5.840630 0.775275 -0.938769
H -5.413061 0.134032 0.686847
H 2.285383 -1.688421 1.445566
H 0.987652 -0.469036 1.531938
H 2.284549 -1.747904 -2.044360
H 1.154027 -4.143928 -0.976667
H -1.182074 -1.103442 1.038729
H 4.393105 -1.089539 -0.016272
H 1.478433 1.865929 1.235623
H -0.572256 -5.877196 -0.362382
H -2.885347 -2.812193 1.673116
H -2.597798 -5.209902 0.970558
H 6.060001 0.737050 -0.454470
H 3.134456 3.695629 0.801077
H 5.432964 3.137346 -0.050441


