%chk=000094654.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094654

0 1
 O   -3.225900       2.307600       1.082400    
 O   0.8714000      -2.446300     -0.5596000    
 O    1.038300      -2.130400       1.714400    
 N   -1.148000     -0.3513000     -2.7300000E-02
 N   -1.003500       1.787500      0.6451000    
 C   -2.527000      0.1054000      0.2861000    
 C   -3.378600      2.6900001E-02 -0.9742000    
 C   -2.343000       1.543300      0.7278000    
 C   -3.091100     -0.7448000       1.416900    
 C   -2.737600      0.8233000      -2.110400    
 C   -3.589700      -1.427400      -1.394700    
 C  -0.3765000      0.6668000      0.2073000    
 C    1.059200      0.6888000      4.1900001E-02
 C    1.837600     -0.4643000      0.2078000    
 C    1.688100       1.894500     -0.2928000    
 C    3.221500     -0.4120000      4.1400000E-02
 C    3.838900      0.7937000     -0.2920000    
 C    3.072000       1.946900     -0.4592000    
 C    1.222000      -1.738300      0.5561000    
 C    5.318500      0.8503000     -0.4699000    
 C   0.2536000      -3.720100     -0.3470000    
 H   -4.364800      0.4684000     -0.7776000    
 H   -4.151500     -0.5296000       1.588300    
 H   -2.974100      -1.817400       1.229800    
 H   -2.566600     -0.5367000       2.357600    
 H   -2.605300       1.879200      -1.855900    
 H   -1.769100      0.4139000      -2.415900    
 H   -3.384900      0.7952000      -2.994900    
 H   -2.643300      -1.961200      -1.530400    
 H   -4.128200      -1.471700      -2.348500    
 H   -4.197900      -1.977600     -0.6702000    
 H  -0.5724000       2.670300      0.8933000    
 H    1.123300       2.809300     -0.4524000    
 H    3.819800      -1.310900      0.1735000    
 H    3.541000       2.891400     -0.7219000    
 H    5.602700       1.634700      -1.179600    
 H    5.804600       1.053400      0.4894000    
 H    5.704200     -9.4999999E-02 -0.8665000    
 H   0.9357000      -4.384900      0.1910000    
 H   3.1099999E-02  -4.157600      -1.323700    
 H  -0.6829000      -3.597200      0.2052000    


%chk=000094654-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094654

0 1
O -3.650401 -1.523451 1.217927
O 2.806624 -1.316214 2.441980
O 0.625581 -1.968863 2.145482
N -1.522482 0.020512 -1.313423
N -1.370298 -1.211449 0.615334
C -2.921163 -0.270202 -0.864872
C -3.721847 1.054064 -0.602054
C -2.757141 -1.075360 0.455549
C -3.612780 -1.181113 -1.911769
C -3.027229 1.932965 0.466368
C -3.953407 1.859955 -1.900154
C -0.701467 -0.546644 -0.434811
C 0.782397 -0.471875 -0.612363
C 1.839625 -0.823359 0.301428
C 1.168383 0.057566 -1.879368
C 3.195168 -0.627685 -0.101596
C 3.558031 -0.106827 -1.358737
C 2.507851 0.231224 -2.251990
C 1.654462 -1.413792 1.667103
C 5.010153 0.119395 -1.730891
C 2.722269 -1.921722 3.794810
H -4.699865 0.722469 -0.195793
H -4.646346 -1.398981 -1.589466
H -3.627723 -0.690497 -2.898024
H -3.070834 -2.137664 -2.014351
H -2.897241 1.392526 1.421604
H -2.034320 2.265365 0.112079
H -3.635264 2.832371 0.672962
H -2.989135 2.073461 -2.395005
H -4.443672 2.822425 -1.663923
H -4.601428 1.326151 -2.617216
H -0.864423 -1.700979 1.374560
H 0.355493 0.326999 -2.559681
H 3.979096 -0.901984 0.608698
H 2.744469 0.631174 -3.245322
H 5.223990 -0.236072 -2.754177
H 5.255818 1.200104 -1.708133
H 5.696199 -0.390107 -1.034757
H 1.873975 -1.493272 4.352820
H 3.681894 -1.671124 4.266950
H 2.588590 -3.013391 3.712919


