%chk=000086905.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086905

0 1
 O    1.568700     -0.8276000       2.170000    
 O   0.1265000     -0.1653000      -2.249500    
 O    2.849700       2.896800     -0.1844000    
 N    2.127100       1.080300       1.025200    
 N    1.406100       1.411600      -1.182200    
 C   0.3049000     -0.3188000      0.1640000    
 C  -0.9711000      0.3676000      0.6835000    
 C   4.8200000E-02  -1.826200      2.1800000E-02
 C   -2.126000      0.2230000     -0.3105000    
 C   -3.448200      0.8312000      0.1927000    
 C    1.394300     -8.3300002E-02   1.205400    
 C   0.6069000      0.2784000      -1.206800    
 C    1.319900      -2.555700     -0.3813000    
 C   -3.841800      0.1872000       1.524500    
 C   -4.587200      0.6684000     -0.8149000    
 C    1.060200      -4.044700     -0.5446000    
 C    2.161900       1.877000     -0.1129000    
 H   -1.228900     -7.1400002E-02   1.653700    
 H  -0.7920000       1.435300      0.8669000    
 H  -0.7079000      -2.047400     -0.7387000    
 H  -0.3247000      -2.243300      0.9667000    
 H   -1.892500      0.7334000      -1.250400    
 H   -2.321700     -0.8259000     -0.5501000    
 H   -3.300300       1.905500      0.3611000    
 H    2.115300      -2.437200      0.3604000    
 H    1.710500      -2.170600      -1.329700    
 H   -3.176000      0.4931000       2.336800    
 H   -3.836500     -0.9062000       1.460400    
 H   -4.850400      0.4984000       1.819500    
 H   -4.802000     -0.3888000      -1.003600    
 H   -5.504300       1.142100     -0.4491000    
 H   -4.326800       1.136500      -1.770000    
 H    2.765500       1.335300       1.773600    
 H    1.513100       1.910800      -2.060900    
 H   0.7063000      -4.487300      0.3920000    
 H   0.3097000      -4.231500      -1.319400    
 H    1.981000      -4.560200     -0.8356000    


%chk=000086905-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000086905

0 1
O 1.321235 -0.742200 2.331728
O 0.144821 0.046553 -2.300593
O 3.126796 2.808875 -0.059346
N 2.162409 1.034535 1.120570
N 1.549301 1.446999 -1.121320
C 0.301067 -0.340106 0.128877
C -1.067585 0.286053 0.649749
C 0.158650 -1.872811 -0.096544
C -2.309311 -0.018532 -0.216007
C -3.545246 0.836062 0.181089
C 1.300150 -0.070299 1.268739
C 0.655137 0.357517 -1.192918
C 1.471713 -2.583579 -0.495217
C -3.993710 0.583415 1.641238
C -4.710508 0.563086 -0.799223
C 1.253578 -4.094053 -0.727137
C 2.331389 1.837944 -0.020755
H -1.208472 -0.110194 1.672611
H -0.944033 1.385556 0.740186
H -0.591151 -2.029495 -0.891656
H -0.232523 -2.316024 0.838392
H -2.078079 0.159616 -1.283382
H -2.578971 -1.089216 -0.122710
H -3.261741 1.907096 0.087258
H 2.231281 -2.443483 0.298748
H 1.875395 -2.128859 -1.422122
H -3.215117 0.864704 2.373284
H -4.234466 -0.486710 1.794786
H -4.900687 1.169240 1.879514
H -5.033788 -0.494184 -0.737963
H -5.585858 1.196452 -0.564067
H -4.413395 0.765494 -1.845014
H 2.762132 1.266714 1.919249
H 1.707897 1.973594 -1.986883
H 0.874882 -4.584869 0.188867
H 0.518501 -4.269173 -1.534852
H 2.195807 -4.595219 -1.013580


