%chk=000146315.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146315

-1 1
 O   -1.027800       1.692800     -0.9518000    
 O   -4.019000     -0.6445000       2.214100    
 O   -2.479400       1.097900      -2.590300    
 O   -3.448000      -2.572800       1.164800    
 O    7.667200      -1.470100       1.549000    
 O    7.644800      -1.413900     -0.7080000    
 N   -3.099200      -1.157400      -1.160300    
 N    4.525100     -0.5669000      0.4730000    
 C   -1.778100     -0.5787000     -0.9687000    
 C   -4.043700     -0.6300000     -0.1781000    
 C  -0.7150000      -1.488300      -1.604000    
 C   -5.480100     -0.7921000     -0.6991000    
 C   0.6714000      -1.244300      -1.054000    
 C   -6.461500      0.1302000     -1.3000000E-02
 C   -1.809600      0.7978000      -1.610200    
 C   -3.811400      -1.404800       1.107700    
 C    1.116500      -1.959100      5.8100000E-02
 C    1.506200     -0.3045000      -1.658800    
 C    3.230900     -0.7942000     -3.9700001E-02
 C    2.396300      -1.734000      0.5654000    
 C    2.785800     -7.9499997E-02  -1.151600    
 C   -7.122300     -0.2889000       1.141700    
 C   -6.705900       1.401000     -0.5341000    
 C   -8.027800      0.5623000       1.775100    
 C   -7.611300       2.252200      9.9399999E-02
 C   -8.272200       1.832700       1.254000    
 C    5.357000      0.5693000      0.4931000    
 C    6.745900      0.4404000      0.4764000    
 C    4.774700       1.836400      0.5307000    
 C    7.552200       1.578400      0.4969000    
 C    5.581200       2.974300      0.5511000    
 C    6.969800       2.845300      0.5343000    
 C    7.387600     -0.8871000      0.4370000    
 H   -1.559500     -0.4658000      0.1013000    
 H   -3.846300      0.4333000      1.0600000E-02
 H  -0.7003000      -1.367200      -2.695600    
 H  -0.9558000      -2.546100      -1.429100    
 H   -3.076800      -2.175000      -1.109800    
 H   -5.819800      -1.831200     -0.5916000    
 H   -5.517700     -0.5795000      -1.776700    
 H   0.4743000      -2.691500      0.5399000    
 H    1.174300      0.2534000      -2.530200    
 H    2.731100      -2.296000       1.433600    
 H    3.422200      0.6412000      -1.657600    
 H   -6.942800      -1.277100       1.556800    
 H   -6.195000       1.740200      -1.431300    
 H    4.918500      -1.374400      0.9477000    
 H   -8.542700      0.2358000       2.673900    
 H   -7.801100       3.241800     -0.3057000    
 H   -1.064000       2.582200      -1.364000    
 H   -8.977100       2.495600       1.747300    
 H   -3.854000      -1.147800       3.039600    
 H    3.697100       1.969500      0.5696000    
 H    8.635600       1.490500      0.4845000    
 H    5.128100       3.960800      0.5859000    
 H    7.597500       3.731400      0.5518000    


%chk=000146315-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000146315

-1 1
O -0.799060 1.330099 0.750400
O -3.871689 -0.905785 2.357200
O -2.098759 1.697168 -1.137821
O -5.151775 -2.517735 1.277293
O 6.537322 -1.829211 1.289353
O 8.775168 -1.192607 1.172077
N -3.140952 -0.987669 -0.712883
N 4.774118 -0.343941 0.303010
C -1.800343 -0.613006 -0.239896
C -4.340912 -0.525404 0.006667
C -0.744559 -1.286850 -1.194173
C -5.577029 -0.554348 -0.928158
C 0.705741 -1.034561 -0.834025
C -6.803312 0.111412 -0.320246
C -1.624459 0.905840 -0.291170
C -4.554340 -1.414136 1.243039
C 1.344485 -1.750457 0.215981
C 1.479341 -0.069392 -1.526157
C 3.457034 -0.495863 -0.104412
C 2.675998 -1.493387 0.573959
C 2.819285 0.202176 -1.182922
C -7.781798 -0.643178 0.377234
C -6.976502 1.516922 -0.423579
C -8.906762 -0.010059 0.953252
C -8.099015 2.153006 0.152002
C -9.070229 1.390315 0.842470
C 5.714417 0.661459 0.032135
C 7.088752 0.356479 0.362041
C 5.402095 1.964244 -0.466142
C 8.081062 1.336106 0.138975
C 6.418286 2.920788 -0.669514
C 7.769614 2.611947 -0.382968
C 7.523262 -0.987188 0.981715
H -1.582241 -0.928011 0.802595
H -4.162514 0.509292 0.343962
H -0.968814 -0.934914 -2.218436
H -0.963302 -2.375596 -1.160117
H -3.203311 -1.952970 -1.055042
H -5.799255 -1.608146 -1.182601
H -5.265626 -0.034816 -1.851495
H 0.785182 -2.522142 0.763609
H 1.027798 0.477107 -2.366356
H 3.153544 -2.057816 1.383107
H 3.389837 0.910838 -1.788064
H -7.649907 -1.727376 0.472805
H -6.227903 2.111082 -0.962996
H 5.317572 -1.162375 0.826965
H -9.653990 -0.608368 1.487734
H -8.217914 3.238960 0.060040
H -0.568544 2.290573 0.626385
H -9.943181 1.881783 1.287668
H -3.939946 -1.550548 3.114174
H 4.361456 2.246397 -0.647474
H 9.106402 1.047209 0.397930
H 6.147484 3.915918 -1.047059
H 8.558788 3.354735 -0.551072


