%chk=000099579.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099579

0 1
 O   -1.497600      -2.981700     -0.2303000    
 O    1.095300      -2.023100     -0.1491000    
 O    5.823600      0.7564000      0.7619000    
 N    2.477200      0.2440000     -0.6958000    
 C    1.672900      0.7033000      0.4359000    
 C   0.2708000      0.1572000      0.3860000    
 C    3.847300      0.7436000     -0.5856000    
 C  -0.7909000       1.017000      0.6367000    
 C   -2.096600      0.5284000      0.5953000    
 C   4.9400002E-02  -1.182500      9.4700001E-02
 C   -1.256500      -1.671100      5.3300001E-02
 C    1.876400      0.6743000      -1.957800    
 C   -2.329500     -0.8157000      0.3036000    
 C   -3.243300       1.443100      0.8643000    
 C    4.491700      0.2629000      0.7050000    
 C   -3.769800       2.110700     -0.3797000    
 C   -2.861100      -3.399600     -0.2527000    
 C   -3.759200       3.432500     -0.5857000    
 H    1.660900       1.800700      0.4817000    
 H    2.058500      0.3426000       1.394500    
 H    3.886500       1.840300     -0.6332000    
 H    4.451100      0.3821000      -1.428100    
 H  -0.6108000       2.064700      0.8645000    
 H   0.9037000      0.2115000      -2.150100    
 H    2.511000      0.3708000      -2.799300    
 H    1.757100       1.763300      -2.008200    
 H   -3.365100      -1.138300      0.2835000    
 H   -4.064700      0.8852000       1.332600    
 H   -2.947900       2.192000       1.611200    
 H    4.523200     -0.8308000      0.7509000    
 H    4.003700      0.6477000       1.602400    
 H   -4.198200       1.470200      -1.146900    
 H   0.7403000      -2.910200     -0.3329000    
 H    6.219100      0.4200000       1.584200    
 H   -3.425800      -2.893800      -1.043400    
 H   -3.332300      -3.294400      0.7305000    
 H   -2.866200      -4.467800     -0.4937000    
 H   -4.162100       3.849000      -1.502300    
 H   -3.350700       4.117200      0.1491000    


%chk=000099579-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099579

0 1
O -1.163381 -3.165821 0.553210
O 1.175290 -1.942353 0.843222
O 5.731292 -0.371513 0.140592
N 2.298207 0.916806 -0.580016
C 1.535132 0.918714 0.696408
C 0.168830 0.266079 0.562202
C 3.766310 0.917964 -0.385985
C -1.009677 1.031734 0.379010
C -2.283331 0.433309 0.229351
C 0.047701 -1.139393 0.617719
C -1.224819 -1.754436 0.468336
C 1.806069 1.917027 -1.541773
C -2.384042 -0.981443 0.269811
C -3.539863 1.290783 0.059103
C 4.282983 -0.502772 -0.118503
C -3.392128 2.390342 -0.977221
C -2.414564 -3.910356 0.423157
C -3.602381 3.710744 -0.745771
H 1.405628 1.961202 1.083958
H 2.127064 0.360692 1.442515
H 4.095126 1.583971 0.447799
H 4.249374 1.295512 -1.305341
H -0.927984 2.125293 0.351243
H 0.730608 1.752032 -1.730871
H 2.340015 1.807141 -2.502071
H 1.931952 2.974253 -1.190681
H -3.362605 -1.459218 0.151324
H -4.383319 0.631306 -0.231210
H -3.821265 1.750191 1.028102
H 4.083806 -1.135465 -1.007047
H 3.758342 -0.951934 0.748568
H -3.089833 2.058348 -1.982311
H 0.874781 -2.890684 0.849254
H 6.112321 -1.268063 0.313946
H -2.876961 -3.738055 -0.567809
H -3.128082 -3.628802 1.221395
H -2.139811 -4.970449 0.526182
H -3.491069 4.458934 -1.538562
H -3.894314 4.080080 0.245765


