%chk=000090955.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090955

0 1
 O   -3.659000      0.6195000      2.7700000E-02
 O    2.968800      0.6261000      0.9023000    
 O    3.688600     -0.7256000     -0.8226000    
 N  -0.9717000     -0.2931000     -0.1367000    
 C   -1.318900       1.118500     -0.4068000    
 C   -1.933300     -0.9438000      0.7776000    
 C   0.4208000     -0.4477000      0.2800000    
 C   -2.760500       1.184500     -0.9248000    
 C   -3.360900     -0.7598000      0.2373000    
 C    1.395900      9.3699999E-02 -0.7728000    
 C   -1.135200       2.070800      0.7859000    
 C   -1.669000      -2.444000      0.9533000    
 C    1.243800     -0.5979000      -2.128600    
 C    2.817400     -7.4600004E-02 -0.2605000    
 C    4.273200      0.5733000       1.488600    
 H  -0.7160000       1.504900      -1.234800    
 H   -1.874400     -0.4709000       1.766000    
 H   0.6645000      -1.509300      0.4048000    
 H   0.5898000      8.9999996E-03   1.262300    
 H   -2.866000      0.6587000      -1.882500    
 H   -3.064200       2.223300      -1.093600    
 H   -4.089300      -1.140800      0.9616000    
 H   -3.515700      -1.309500     -0.7000000    
 H    1.285600       1.173300     -0.9258000    
 H   -1.732600       1.776200       1.653900    
 H  -8.8100001E-02   2.136900       1.096400    
 H   -1.445600       3.085000      0.5091000    
 H   -1.574800      -2.949700     -1.4200000E-02
 H  -0.7608000      -2.632900       1.533700    
 H   -2.492400      -2.919900       1.498000    
 H    1.373000      -1.682300      -2.038400    
 H    1.996900     -0.2356000      -2.837600    
 H   0.2613000     -0.4084000      -2.571700    
 H    5.013500      0.9984000      0.8042000    
 H    4.531000     -0.4584000       1.745800    
 H    4.258400       1.170100       2.404500    


%chk=000090955-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000090955

0 1
O -3.767252 0.650670 -0.312061
O 3.520552 0.978791 0.054887
O 3.286406 -1.284888 0.551342
N -1.007994 -0.106875 0.055151
C -1.405902 1.336831 0.001953
C -2.088157 -0.990787 0.594054
C 0.364782 -0.326676 0.549830
C -2.670609 1.455348 -0.872396
C -3.361300 -0.759178 -0.255524
C 1.437184 -0.078286 -0.565342
C -1.628841 2.005510 1.388235
C -1.729295 -2.489241 0.520830
C 1.267457 -1.071453 -1.737888
C 2.815382 -0.231823 0.060931
C 4.874207 0.934675 0.662770
H -0.591877 1.875838 -0.522734
H -2.331243 -0.735829 1.654585
H 0.479191 -1.370714 0.882345
H 0.608286 0.317713 1.427315
H -2.442552 1.110601 -1.904024
H -3.048133 2.491420 -0.896316
H -4.221605 -1.291102 0.184968
H -3.172649 -1.136936 -1.285919
H 1.350425 0.958246 -0.936010
H -2.563801 1.645821 1.851339
H -0.790614 1.803342 2.079066
H -1.708902 3.102300 1.273721
H -1.345236 -2.745855 -0.483146
H -0.975132 -2.785759 1.269295
H -2.632320 -3.097344 0.715138
H 1.489442 -2.101410 -1.404817
H 1.941576 -0.824747 -2.577510
H 0.222959 -1.026398 -2.091012
H 5.511311 0.214164 0.122891
H 4.808119 0.633217 1.721743
H 5.260234 1.958809 0.563913


