%chk=000059720.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059720

0 1
 O    2.680500       1.287600       1.670800    
 O   -2.237900      -1.223300      -2.064100    
 N   -2.586000     -0.3429000      0.1298000    
 N    6.547300      0.3402000      -2.226300    
 C   -1.596700      0.7330000       2.115000    
 C  -0.2366000      0.9846000       1.456500    
 C   -2.311300     -0.4829000       1.533600    
 C   0.4797000       2.174500       2.103200    
 C    1.850900       2.425900       1.487900    
 C   -3.429600      0.7709000     -0.3176000    
 C   -2.067300      -1.249000     -0.8459000    
 C   -1.238700      -2.365400     -0.3523000    
 C   -3.237400       1.326900      -1.582400    
 C   -4.424400       1.273500      0.5213000    
 C    3.632100       1.054400      0.7118000    
 C   -4.039600       2.385500      -2.008300    
 C   -5.226600       2.332100      9.5299996E-02
 C   -1.835900      -3.578300     -8.3999997E-03
 C   0.1420000      -2.208600     -0.2298000    
 C   -5.034200       2.888100      -1.169600    
 C    4.193300       2.122600      1.1800000E-02
 C    4.039000     -0.2510000      0.4359000    
 C   -1.052600      -4.634000      0.4581000    
 C   0.9252000      -3.264400      0.2367000    
 C   0.3279000      -4.477100      0.5806000    
 C    5.161300       1.885400     -0.9638000    
 C    5.007200     -0.4882000     -0.5399000    
 C    5.568400      0.5800000      -1.239700    
 H   -2.208100       1.638000       2.038600    
 H   -1.447000      0.5596000       3.188300    
 H  -0.3565000       1.176700      0.3845000    
 H   0.3816000      8.7200001E-02   1.565600    
 H   -1.703700      -1.361800       1.758000    
 H   -3.252400     -0.6641000       2.064900    
 H  -0.1338000       3.077400       2.004600    
 H   0.6017000       1.972200       3.174400    
 H    2.316200       3.288200       1.979000    
 H    1.697800       2.658200      0.4258000    
 H   -2.435500       1.023100      -2.246000    
 H   -4.621400      0.8597000       1.504800    
 H   -3.880000       2.829600      -2.986700    
 H   -6.003500       2.721800      0.7466000    
 H   -2.910900      -3.710900     -9.9600002E-02
 H   0.6200000      -1.272300     -0.5051000    
 H   -5.657000       3.714300      -1.500000    
 H    3.925800       3.155100      0.2160000    
 H    3.605500      -1.086300      0.9788000    
 H   -1.517700      -5.578200      0.7259000    
 H    2.000500      -3.143800      0.3292000    
 H   0.9379000      -5.299400      0.9431000    
 H    5.596000       2.726300      -1.498300    
 H    5.315700      -1.510100     -0.7457000    
 H    6.842300     -0.6060000      -2.427200    
 H    6.954000       1.114200      -2.734400    


%chk=000059720-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059720

0 1
O 2.718364 1.341899 1.113328
O -3.661303 -1.689571 -1.495065
N -2.866933 -0.401317 0.302060
N 7.733649 0.611061 -1.421792
C -1.486590 0.837899 2.058348
C -0.220564 1.037707 1.199760
C -2.317549 -0.412569 1.691287
C 0.558975 2.314374 1.580192
C 1.851474 2.481623 0.774632
C -3.696748 0.720930 -0.081732
C -2.865203 -1.556142 -0.514629
C -1.875665 -2.658648 -0.216529
C -3.659975 1.202601 -1.415895
C -4.529808 1.369934 0.864176
C 3.955219 1.237503 0.438664
C -4.444237 2.311571 -1.791619
C -5.309908 2.484088 0.482146
C -2.357347 -3.992402 -0.185612
C -0.479732 -2.422282 -0.123038
C -5.272326 2.962219 -0.846203
C 4.431849 2.154291 -0.528391
C 4.748942 0.116612 0.782654
C -1.461745 -5.070034 -0.019485
C 0.417776 -3.503417 0.019502
C -0.070909 -4.828737 0.084303
C 5.686056 1.944354 -1.144665
C 5.996761 -0.090741 0.169346
C 6.490015 0.821193 -0.810585
H -2.122123 1.742387 1.995768
H -1.196557 0.732262 3.123888
H -0.506131 1.090382 0.129084
H 0.457106 0.170966 1.316016
H -1.699157 -1.316567 1.797716
H -3.156395 -0.519446 2.410180
H -0.074003 3.209301 1.412010
H 0.813701 2.293627 2.658020
H 2.366124 3.430794 1.033836
H 1.638353 2.479858 -0.316377
H -3.034314 0.696455 -2.155357
H -4.587138 1.004487 1.894497
H -4.408523 2.668293 -2.826970
H -5.950632 2.972035 1.225244
H -3.430728 -4.170570 -0.308924
H -0.092973 -1.400861 -0.191552
H -5.879653 3.824470 -1.142105
H 3.845080 3.032830 -0.813529
H 4.371578 -0.582081 1.536466
H -1.844687 -6.095895 0.016216
H 1.494779 -3.309524 0.073017
H 0.625472 -5.666604 0.201551
H 6.041875 2.662953 -1.893378
H 6.597554 -0.964960 0.449241
H 8.301223 -0.195373 -1.181831
H 8.085132 1.255581 -2.122588


