%chk=000058644.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058644

0 1
 I   -1.838600       2.095600      0.4432000    
 I  -0.9164000      -3.845600     -0.4850000    
 I   -6.469900      -1.919200      0.5291000    
 O    1.825300      0.9885000     -0.5737000    
 O  -0.3741000     -0.6823000     -0.1299000    
 O    4.688100       2.991500      0.3355000    
 O    2.492800       3.167000      0.8695000    
 O   -5.505500       1.627400      -1.459500    
 N   -4.848400      0.9142000      0.6879000    
 C    3.217300       1.282600     -0.4982000    
 C    3.955700      0.1133000      6.5800004E-02
 C    4.926600     -0.5515000     -0.6833000    
 C    1.577600     -0.1362000      -1.404300    
 C    3.662200     -0.3120000       1.361500    
 C   8.4899999E-02 -0.4008000      -1.446600    
 C    5.604000      -1.641400     -0.1366000    
 C    5.257500     -0.1154000      -2.072900    
 C    3.399500       2.561300      0.3130000    
 C    4.339700      -1.401800       1.908200    
 C    5.310500      -2.066500       1.159200    
 C   -1.714100     -0.9268000      1.7300000E-02
 C   -2.593300      0.1220000      0.2774000    
 C   -3.956200     -0.1352000      0.4270000    
 C   -2.190300      -2.231100     -9.3500003E-02
 C   -4.436000      -1.440400      0.3167000    
 C   -3.553100      -2.488100      5.6400001E-02
 C   -5.540500       1.701900     -0.2355000    
 C   -6.405300       2.729100      0.4512000    
 H    3.530500       1.558100      -1.510600    
 H    1.941200      5.9599999E-02  -2.419000    
 H    2.056600      -1.038300      -1.011400    
 H    2.906000      0.1919000       1.957800    
 H  -0.1190000      -1.241500      -2.117800    
 H  -0.4300000      0.4800000      -1.844800    
 H    6.362900      -2.171200     -0.7061000    
 H    4.387500     -0.2049000      -2.730600    
 H    5.628000      0.9150000      -2.079800    
 H    6.048000     -0.7364000      -2.509700    
 H    4.110400      -1.733600       2.916600    
 H    5.837600      -2.915400       1.584800    
 H   -3.926000      -3.506600     -3.0099999E-02
 H   -4.904000       1.185400       1.667200    
 H    4.787600       3.820800      0.8498000    
 H   -7.057800       2.242500       1.181800    
 H   -7.026200       3.243400     -0.2874000    
 H   -5.771400       3.461900      0.9580000    


%chk=000058644-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058644

0 1
I -1.112729 1.510390 0.609610
I -1.616707 -4.121181 -1.773787
I -6.472994 -1.621705 0.902723
O 1.728510 0.808075 -1.438061
O -0.343902 -1.259580 -0.807914
O 4.273335 3.176041 -0.709680
O 2.150646 2.999810 0.221165
O -5.824998 1.463799 -0.522839
N -4.295582 0.911422 1.161676
C 3.116525 1.101979 -1.086550
C 3.714524 0.111766 -0.074926
C 5.089270 -0.265182 -0.123252
C 1.530401 -0.468109 -2.136609
C 2.860270 -0.406411 0.930416
C 0.033964 -0.734604 -2.155568
C 5.565320 -1.172660 0.857751
C 6.041156 0.274019 -1.179890
C 3.069465 2.500325 -0.453906
C 3.354431 -1.308873 1.894512
C 4.714366 -1.692269 1.858550
C -1.715635 -1.281087 -0.521835
C -2.333127 -0.186530 0.143526
C -3.712120 -0.208762 0.505073
C -2.508636 -2.419110 -0.820771
C -4.458747 -1.384617 0.216666
C -3.868761 -2.474455 -0.457836
C -5.310067 1.711299 0.599405
C -5.750200 2.870397 1.486122
H 3.752740 1.160994 -1.992342
H 1.908438 -0.394097 -3.179809
H 2.053459 -1.295685 -1.618252
H 1.804914 -0.110845 0.928473
H -0.215959 -1.499723 -2.915604
H -0.520744 0.200175 -2.359420
H 6.619501 -1.473916 0.832634
H 5.738162 -0.031933 -2.200658
H 6.079418 1.378216 -1.168505
H 7.062861 -0.106646 -1.012700
H 2.684439 -1.710764 2.662034
H 5.110527 -2.392784 2.602410
H -4.457547 -3.368029 -0.672889
H -3.791848 1.289214 1.968862
H 4.264866 4.053641 -0.238830
H -6.625831 2.556749 2.084083
H -6.061679 3.709694 0.845461
H -4.961792 3.212353 2.179882


