%chk=000041525.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041525

0 1
 O    2.736400      -2.171700      8.5199997E-02
 O    2.286900       2.602400      7.7600002E-02
 O    4.891800     -0.1734000     -0.1496000    
 N   -4.493700      0.5603000      0.2018000    
 N   -3.468200      -1.437500       1.076200    
 N   -3.482700       1.734800      -1.593300    
 N   -5.474200     -0.6193000       1.977300    
 C    2.541600      0.2181000      9.5299996E-02
 C   2.6400000E-02 -2.0600000E-02  -1.088300    
 C    3.889300      0.3460000      0.7295000    
 C   -1.318000     -0.1482000      -1.720900    
 C    2.025900      -1.044300     -0.1986000    
 C    1.799600       1.361100     -0.2027000    
 C   0.7684000      -1.163500     -0.7904000    
 C   0.5421000       1.241700     -0.7945000    
 C   -2.457500     -0.2538000     -0.7273000    
 C    3.981700     -0.3887000       2.068800    
 C   -3.477700      0.6505000     -0.6815000    
 C   -2.483700      -1.285900      0.1661000    
 C    3.610900      -2.659200     -0.9303000    
 C    1.981600       3.143700       1.361100    
 C   -4.426900     -0.4926000       1.038800    
 H    4.157300       1.392500      0.9024000    
 H   -1.452100      0.6747000      -2.432100    
 H   -1.344900      -1.046000      -2.355300    
 H   0.3795000      -2.151600      -1.024200    
 H  -3.2400001E-02   2.136000      -1.024000    
 H    4.017900      -1.476600       1.967300    
 H    3.155100     -0.1197000       2.734600    
 H    4.918900     -0.1158000       2.568700    
 H   -1.729800      -2.063100      0.1960000    
 H    5.750400     -8.2900003E-02  0.2979000    
 H    3.180900      -3.573700      -1.349600    
 H    4.574100      -2.905800     -0.4753000    
 H    3.765000      -1.938900      -1.741200    
 H    2.283900       2.461800       2.161900    
 H   0.9099000       3.353600       1.436000    
 H    2.530100       4.082600       1.476000    
 H   -3.594700       1.458500      -2.564700    
 H   -2.708200       2.381400      -1.471600    
 H   -6.216900      6.6000000E-02   1.988700    
 H   -5.467900      -1.393000       2.627400    


%chk=000041525-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041525

0 1
O 3.462897 -1.698267 -1.143282
O 1.871316 1.601709 2.028811
O 4.404034 1.150362 -0.829343
N -3.764915 1.036751 -1.019857
N -4.658149 0.005079 1.017171
N -1.739731 0.364835 -1.962031
N -5.808865 1.714724 -0.102409
C 2.666401 0.019783 0.414743
C 0.033599 -1.119228 0.200609
C 4.040926 0.656855 0.533434
C -1.360484 -1.752105 0.114554
C 2.402065 -1.082439 -0.435682
C 1.568060 0.524799 1.175837
C 1.105279 -1.639773 -0.555142
C 0.271697 -0.028027 1.070802
C -2.520563 -0.774229 0.078255
C 5.116338 -0.303584 1.082836
C -2.675591 0.211225 -0.959935
C -3.557082 -0.804368 1.030996
C 3.551594 -1.331311 -2.571079
C 0.772793 2.210092 2.783723
C -4.706617 0.890523 -0.035413
H 3.952758 1.530238 1.205094
H -1.390052 -2.413702 -0.775713
H -1.502073 -2.417208 0.990505
H 0.962620 -2.508033 -1.208899
H -0.565627 0.376499 1.646671
H 5.230151 -1.171020 0.413455
H 4.829716 -0.665442 2.087088
H 6.089683 0.216538 1.181665
H -3.513921 -1.525608 1.858145
H 5.341760 1.471324 -0.793141
H 2.610444 -1.578544 -3.102380
H 4.375954 -1.935188 -2.981482
H 3.777786 -0.253690 -2.656011
H 0.324501 1.489147 3.494293
H -0.011495 2.601133 2.107704
H 1.233651 3.040035 3.339367
H -1.904323 1.096504 -2.651155
H -0.822008 -0.071466 -1.894922
H -5.888829 2.378815 -0.866633
H -6.529599 1.626163 0.607953


