%chk=000059663.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059663

0 1
 O    1.387400       2.341700       1.028300    
 O   0.1795000      -1.547300      -1.488200    
 O    4.321200      -1.126600      0.4269000    
 N    2.842300      0.6114000      0.6799000    
 N    2.251200      -1.292100     -0.5527000    
 C   0.6753000      0.5996000     -0.4907000    
 C  -0.7463000      0.6719000      8.1799999E-02
 C  -0.9677000     -2.9999999E-02   1.396800    
 C   -1.343100      -1.503000       1.230800    
 C   -2.489800      -1.799700      0.2554000    
 C   -3.782100      -1.019100      0.5153000    
 C   -4.013800      0.1816000     -0.4140000    
 C   -3.160100       1.417600     -0.1220000    
 C   -1.734800       1.301900     -0.5788000    
 C   0.7415000       1.398500      -1.765000    
 C    1.638300       1.265600      0.4825000    
 C   0.9845000     -0.8393000     -0.8800000    
 C    3.216500     -0.6326000      0.1937000    
 H  -7.4500002E-02  3.6200002E-02   2.028900    
 H   -1.743200      0.4763000       1.982000    
 H  -0.4674000      -2.097200      0.9501000    
 H   -1.632700      -1.880900       2.220800    
 H   -2.174900      -1.670700     -0.7840000    
 H   -2.716500      -2.869400      0.3586000    
 H   -3.859400     -0.7151000       1.565500    
 H   -4.617400      -1.710700      0.3413000    
 H   -5.064900      0.4789000     -0.3023000    
 H   -3.894800     -0.1259000      -1.460600    
 H   -3.218100       1.683600      0.9392000    
 H   -3.602800       2.271800     -0.6514000    
 H   -1.583500       1.781900      -1.538700    
 H   0.5053000       2.461900      -1.628600    
 H    1.766300       1.386900      -2.164300    
 H   0.1225000      0.9907000      -2.574800    
 H    3.517400       1.082100       1.276100    
 H    2.489300      -2.228600     -0.8675000    


%chk=000059663-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059663

0 1
O 1.620619 2.644726 0.499484
O 0.507770 -1.427440 -1.936071
O 3.849168 -1.351433 1.286826
N 2.662630 0.623982 0.891371
N 2.122320 -1.350113 -0.288655
C 0.706355 0.701335 -0.712529
C -0.689899 0.684240 -0.018538
C -0.812384 -0.100438 1.281599
C -1.255613 -1.589308 1.105665
C -2.460717 -1.830113 0.163484
C -3.777675 -1.090315 0.541535
C -4.079239 0.211698 -0.246487
C -3.142907 1.422105 0.050829
C -1.756455 1.331142 -0.563056
C 0.738041 1.491312 -2.050964
C 1.681528 1.414465 0.257503
C 1.087622 -0.760335 -1.042608
C 2.939048 -0.737123 0.677303
H 0.138399 -0.086678 1.850789
H -1.555775 0.402704 1.927238
H -0.404350 -2.192639 0.735271
H -1.495522 -1.982649 2.114570
H -2.173134 -1.569194 -0.873135
H -2.649796 -2.922013 0.159746
H -3.786908 -0.870003 1.630129
H -4.629732 -1.777471 0.367938
H -5.116594 0.526543 -0.011280
H -4.056569 -0.009613 -1.332361
H -3.075563 1.546991 1.150291
H -3.630257 2.336931 -0.337554
H -1.637488 1.846411 -1.523343
H 0.468990 2.543713 -1.869804
H 1.752228 1.466681 -2.488206
H 0.043782 1.034207 -2.773305
H 3.277010 1.100443 1.560496
H 2.341767 -2.330848 -0.493874


