%chk=000060290.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060290

0 1
 O   -3.591700      0.9475000     -0.4461000    
 O   -1.323000      -1.621700      0.3679000    
 N    2.647500      0.5111000     -0.1978000    
 N   -1.019200      0.3263000     -0.8121000    
 C    2.951200     -0.9258000     -0.2530000    
 C    3.465900       1.188400      0.8178000    
 C    4.426400      -1.166000     -0.5780000    
 C    4.957700       1.017300      0.5280000    
 C    5.336100     -0.4554000      0.4176000    
 C    1.224700      0.7235000      6.6900000E-02
 C   0.3837000      0.1197000      -1.048200    
 C   -1.800600     -0.5859000     -9.8700002E-02
 C   -3.211400     -0.2184000      8.7499999E-02
 C   -4.201000     -0.8754000      0.7185000    
 C   -5.334500     -4.0600002E-02  0.5727000    
 C   -4.912000       1.055400     -0.1431000    
 H    2.406300      -1.434500      -1.051700    
 H    2.694600      -1.419900      0.6933000    
 H    3.239900      0.8044000       1.821400    
 H    3.241000       2.261900      0.8214000    
 H    4.638500      -2.241200     -0.5681000    
 H    4.643800     -0.8065000      -1.592000    
 H    5.211400       1.530900     -0.4081000    
 H    5.545800       1.491300       1.321900    
 H    5.244700     -0.9316000       1.401500    
 H    6.382400     -0.5531000      0.1079000    
 H   0.9333000      0.2984000       1.036800    
 H    1.012300       1.799400      0.1182000    
 H   0.6200000      0.5918000      -2.008500    
 H   0.5174000     -0.9578000      -1.161200    
 H   -1.447500       1.176500      -1.167300    
 H   -4.148300      -1.828200       1.225300    
 H   -6.334400     -0.2156000      0.9429000    
 H   -5.401500       1.950300     -0.4986000    


%chk=000060290-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060290

0 1
O -3.709786 1.101348 -0.232839
O -1.410409 -1.750806 -0.158380
N 2.671082 0.392496 -0.081221
N -1.075057 0.492404 -0.748680
C 3.014700 -1.046888 0.071766
C 3.597210 1.252300 0.700028
C 4.453318 -1.326985 -0.406590
C 5.055795 1.048729 0.240859
C 5.463843 -0.438445 0.354342
C 1.243439 0.665532 0.199475
C 0.358032 0.328704 -1.029228
C -1.853770 -0.567211 -0.314921
C -3.272390 -0.238117 -0.044925
C -4.340023 -1.011909 0.384585
C -5.491907 -0.143551 0.473086
C -5.075986 1.122973 0.093846
H 2.296515 -1.652376 -0.508944
H 2.914302 -1.362308 1.144461
H 3.528682 1.032004 1.799233
H 3.298021 2.307671 0.555838
H 4.687022 -2.398955 -0.258793
H 4.516114 -1.115373 -1.491603
H 5.144147 1.376285 -0.813203
H 5.725950 1.686315 0.849555
H 5.479523 -0.734246 1.424110
H 6.487596 -0.590253 -0.037332
H 0.863092 0.091336 1.079090
H 1.131330 1.740841 0.438302
H 0.647507 0.974033 -1.877028
H 0.514313 -0.722259 -1.324789
H -1.509298 1.414107 -0.830883
H -4.286588 -2.075190 0.605600
H -6.498197 -0.422753 0.778449
H -5.568620 2.087047 0.001733


