%chk=000124588.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124588

0 1
 O    8.070800      -1.238100      0.2369000    
 O    8.112700      0.9186000     -0.4497000    
 N   -5.349000       1.074900     -0.6949000    
 N   -6.586900       1.108600     -0.6921000    
 N   -7.726700       1.148900     -0.7061000    
 C   -3.119200      -2.048900     -0.3040000    
 C   -4.644300      -1.905600     -0.5095000    
 C   -4.733800      0.4174000      0.4763000    
 C   -5.281600      -1.019600      0.5491000    
 C   -2.461200     -0.6898000     -3.4899998E-02
 C   -3.213600      0.4521000      0.3337000    
 C   -2.831400      -2.984900      0.8903000    
 C   -2.566200      -2.714100      -1.586900    
 C   -5.231400       1.164400       1.730400    
 C   -1.056500     -0.5719000     -0.1231000    
 C   -2.535200       1.675700      0.5227000    
 C  -0.4082000      0.6421000      9.5899999E-02
 C   -1.149400       1.769700      0.4091000    
 C    1.032400      0.7256000     -9.1000004E-03
 C    1.820500     -0.3837000      0.2994000    
 C    1.631600       1.913700     -0.4171000    
 C    3.220100     -0.3176000      0.2036000    
 C    3.829100      0.8907000     -0.2116000    
 C    3.020500       1.997100     -0.5185000    
 C    4.028900      -1.424000      0.5106000    
 C    5.228600      0.9570000     -0.3077000    
 C    6.016600     -0.1522000      8.9999998E-04
 C    5.417900      -1.340300      0.4096000    
 C    7.464600     -6.5899998E-02 -0.1031000    
 H   -5.122300      -2.893600     -0.4901000    
 H   -4.856700      -1.485300      -1.501900    
 H   -6.371800      -1.065700      0.4453000    
 H   -5.075200      -1.443100       1.540600    
 H   -1.760200      -3.200100      0.9828000    
 H   -3.149200      -2.547300       1.842800    
 H   -3.346500      -3.945200      0.7727000    
 H   -3.128000      -3.624500      -1.828300    
 H   -2.640100      -2.038400      -2.447300    
 H   -1.517000      -3.012100      -1.489100    
 H   -5.105000       2.249700       1.645800    
 H   -6.296300      0.9874000       1.923000    
 H   -4.686400      0.8348000       2.623200    
 H  -0.4859000      -1.454900     -0.3966000    
 H   -3.085300       2.581200      0.7668000    
 H  -0.6963000       2.737000      0.6070000    
 H    1.378500      -1.312800      0.6544000    
 H    1.058300       2.793200     -0.6972000    
 H    3.467100       2.933800     -0.8461000    
 H    3.582700      -2.363000      0.8317000    
 H    5.699400       1.885400     -0.6268000    
 H    5.992000      -2.228000      0.6599000    
 H    9.047300      -1.177400      0.1660000    


%chk=000124588-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124588

0 1
O 8.283452 -1.175915 0.279018
O 8.219172 0.990649 -0.553381
N -5.381858 1.111431 -0.685604
N -6.635792 1.272560 -0.758724
N -7.778023 1.509766 -0.997339
C -3.188177 -2.094509 -0.317996
C -4.724072 -1.927568 -0.492383
C -4.811768 0.395688 0.557938
C -5.345493 -1.058445 0.608203
C -2.536217 -0.725768 -0.012591
C -3.288257 0.428619 0.359646
C -2.883727 -3.082545 0.849019
C -2.630123 -2.695138 -1.640263
C -5.265036 1.154639 1.831913
C -1.126960 -0.605991 -0.112000
C -2.605456 1.657890 0.545411
C -0.436942 0.611930 0.104306
C -1.211164 1.760881 0.419953
C 1.046842 0.689206 -0.007632
C 1.866002 -0.392210 0.359904
C 1.676512 1.887785 -0.502036
C 3.289648 -0.329905 0.250051
C 3.907333 0.882736 -0.250519
C 3.060573 1.980753 -0.620105
C 4.133255 -1.429783 0.627537
C 5.328221 0.947500 -0.361591
C 6.126953 -0.144198 0.011735
C 5.518371 -1.345421 0.512702
C 7.599608 -0.014982 -0.126643
H -5.194462 -2.929470 -0.501189
H -4.930342 -1.460499 -1.475530
H -6.449083 -1.038723 0.518588
H -5.117378 -1.476447 1.607580
H -1.794233 -3.200618 0.991485
H -3.306087 -2.731788 1.808036
H -3.310320 -4.078883 0.626662
H -3.195036 -3.610751 -1.898689
H -2.734575 -1.978958 -2.475052
H -1.565340 -2.977291 -1.561324
H -5.054385 2.234803 1.767982
H -6.352929 1.027338 1.984356
H -4.741540 0.752568 2.716686
H -0.544509 -1.483792 -0.411648
H -3.178739 2.556877 0.792861
H -0.720867 2.723490 0.600076
H 1.413853 -1.302881 0.770594
H 1.047721 2.726252 -0.819411
H 3.520396 2.896349 -1.009872
H 3.668245 -2.345864 1.009939
H 5.813477 1.854197 -0.740667
H 6.162822 -2.180748 0.797910
H 9.259233 -1.023818 0.160895


