%chk=000134303.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000134303

0 1
 O  -0.3297000      -1.180800     -0.5468000    
 O    3.956600     -0.2570000      0.5216000    
 O    2.964700      0.4911000       2.453400    
 O   -2.890600       3.916400      -1.928100    
 O   -7.765200      -2.359500      0.1273000    
 O   -6.720600      -3.525600      -1.411600    
 N    1.739400      0.1181000      0.5183000    
 N   -1.874400     -0.1826000      0.9104000    
 N   -1.512500       4.222200     -7.8299999E-02
 N   -3.791000       4.517600      9.6199997E-02
 N   -6.718900      -2.673300     -0.4905000    
 C   0.1669000       1.987300      0.8427000    
 C   0.4399000      0.4882000       1.017100    
 C   7.5300001E-02   2.441400     -0.6189000    
 C  -0.2577000       3.926300     -0.7131000    
 C  -0.6183000     -0.3902000      0.3473000    
 C    2.893300      0.1502000       1.277200    
 C   -3.093200     -0.8090000      0.5576000    
 C   -3.119200      -1.759600     -0.4629000    
 C   -4.268800     -0.4763000       1.230900    
 C   -2.737500       4.193700     -0.7398000    
 C    5.225100     -0.2727000       1.186200    
 C    6.276600     -0.7402000      0.2233000    
 C   -4.320700      -2.377500     -0.8102000    
 C   -5.470000      -1.094000      0.8836000    
 C   -5.496100      -2.044700     -0.1367000    
 C    6.571300      -2.099600      0.1181000    
 C    6.959300      0.1845000     -0.5672000    
 C    7.548500      -2.534300     -0.7772000    
 C    7.936500     -0.2504000      -1.462600    
 C    8.231100      -1.609800      -1.567400    
 H   0.9651000       2.556000       1.337800    
 H  -0.7585000       2.242200       1.370800    
 H   0.4210000      0.2583000       2.090600    
 H  -0.6947000       1.865600      -1.145300    
 H    1.026600       2.256000      -1.130300    
 H   0.5123000       4.527900     -0.2192000    
 H  -0.3045000       4.230100      -1.764400    
 H    1.822300     -0.1703000     -0.4523000    
 H   -1.946100      0.4839000       1.675300    
 H   -1.505600       4.472000      0.9060000    
 H   -2.252800      -2.068200      -1.030500    
 H   -4.262000      0.2632000       2.027500    
 H    5.465200      0.7343000       1.549200    
 H    5.180500     -0.9438000       2.053000    
 H   -4.304600      -3.113200      -1.610400    
 H   -6.366000     -0.8097000       1.429600    
 H    6.044700      -2.829900      0.7269000    
 H    6.737200       1.245900     -0.4961000    
 H   -4.745900       4.538300     -0.2459000    
 H   -3.645100       4.742200       1.074600    
 H    7.777600      -3.592800     -0.8594000    
 H    8.467600      0.4693000      -2.078600    
 H    8.991800      -1.948300      -2.264800    


%chk=000134303-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000134303

0 1
O -0.165442 -1.480746 -0.349656
O 3.982356 0.228474 -0.298486
O 3.156717 1.592817 1.450087
O -2.959745 2.565483 0.769399
O -7.737092 -2.450357 -0.645862
O -6.483858 -4.278205 -1.192363
N 1.749832 0.280557 0.094882
N -1.887049 -0.060622 0.381245
N -1.648863 4.519508 0.595791
N -3.630641 4.498827 1.849358
N -6.599462 -3.050596 -0.798902
C 0.129147 2.061971 0.841686
C 0.500990 0.558077 0.819973
C -0.287220 2.641406 -0.523212
C -0.676507 4.134231 -0.461497
C -0.555934 -0.411387 0.217275
C 2.960380 0.774659 0.507515
C -3.021287 -0.849599 0.052200
C -2.937405 -2.204118 -0.385126
C -4.299121 -0.229884 0.193962
C -2.744278 3.798979 1.035349
C 5.364484 0.693641 0.003956
C 6.332095 -0.440715 -0.253502
C -4.113784 -2.921627 -0.660705
C -5.470514 -0.947326 -0.083656
C -5.369442 -2.292905 -0.507670
C 6.107002 -1.727091 0.299060
C 7.500462 -0.216224 -1.021464
C 7.036977 -2.767693 0.088359
C 8.437963 -1.254766 -1.225898
C 8.208303 -2.534006 -0.671352
H 1.009238 2.598425 1.240240
H -0.682150 2.205612 1.577339
H 0.624699 0.248192 1.882766
H -1.124748 2.068667 -0.954989
H 0.557107 2.558982 -1.235429
H 0.231243 4.735392 -0.263822
H -1.067501 4.440628 -1.453371
H 1.728077 -0.512972 -0.557111
H -2.111890 0.912809 0.669468
H -1.538778 5.466826 0.961050
H -1.959131 -2.667465 -0.514220
H -4.350926 0.815986 0.511248
H 5.582302 1.559967 -0.646879
H 5.380481 1.034595 1.056575
H -4.074542 -3.961453 -0.995691
H -6.458261 -0.490411 0.016888
H 5.195023 -1.911786 0.877615
H 7.678076 0.771824 -1.464414
H -4.402494 3.971212 2.249738
H -3.587793 5.503342 2.006731
H 6.850718 -3.759821 0.514794
H 9.338230 -1.068062 -1.822034
H 8.930152 -3.342351 -0.833244


