%chk=000080703.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080703

0 1
 O   -1.396200       2.724500       1.376600    
 N   0.4866000       1.835400      0.2454000    
 N   -4.219800      -2.579600     -0.4408000    
 C    1.001500      0.7645000     -0.4954000    
 C    1.631700     -0.3275000      0.1230000    
 C    1.329200       3.028100      0.5679000    
 C    2.132600      -1.381600     -0.6774000    
 C   0.8672000      0.8170000      -1.883100    
 C  -0.8704000       1.825500      0.7215000    
 C    1.775500     -0.3964000       1.518300    
 C    1.988200      -1.312600      -2.072700    
 C    1.359400     -0.2199000      -2.670200    
 C   -1.745200      0.6765000      0.4186000    
 C    2.762900      -2.473600     -5.8899999E-02
 C    1.213500       4.090500     -0.5119000    
 C    2.404800      -1.488900       2.115900    
 C    2.897600      -2.525400       1.328900    
 C   -1.785100     -0.3930000       1.296900    
 C   -2.506300      0.6921000     -0.7377000    
 C   -2.610900      -1.479900       1.010100    
 C   -3.332300     -0.3948000      -1.024400    
 C   -3.384500      -1.480800     -0.1506000    
 H    1.000700       3.439500       1.528300    
 H    2.369300       2.701800      0.6781000    
 H   0.3762000       1.658400      -2.365400    
 H    1.409600      0.3920000       2.171500    
 H    2.365100      -2.111700      -2.707600    
 H    1.253100     -0.1795000      -3.750400    
 H    3.155300      -3.295300     -0.6544000    
 H    1.590700       3.724400      -1.471700    
 H   0.1721000       4.396300     -0.6552000    
 H    1.796000       4.975000     -0.2364000    
 H    2.510600      -1.529800       3.196100    
 H    3.387400      -3.375700       1.794600    
 H   -1.195000     -0.3967000       2.208500    
 H   -2.471200       1.534600      -1.422600    
 H   -2.644200      -2.319200       1.700000    
 H   -3.930200     -0.3835000      -1.932100    
 H   -4.780400      -2.580900      -1.282500    
 H   -4.257700      -3.367600      0.1919000    


%chk=000080703-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080703

0 1
O -1.486090 3.017372 0.613278
N 0.347461 1.621263 0.311728
N -4.945317 -2.289359 -0.512712
C 0.987004 0.551267 -0.417512
C 1.888960 -0.343068 0.271361
C 1.220456 2.774984 0.695016
C 2.600205 -1.345556 -0.497254
C 0.780563 0.414770 -1.795799
C -1.045083 1.851896 0.335070
C 2.080308 -0.296473 1.692191
C 2.365869 -1.450551 -1.908453
C 1.460229 -0.596538 -2.540373
C -1.988980 0.717705 0.082919
C 3.507832 -2.226537 0.180418
C 1.453887 3.759216 -0.469108
C 2.962764 -1.175721 2.324318
C 3.693374 -2.141684 1.561719
C -1.715045 -0.644772 0.380349
C -3.288063 1.049150 -0.390328
C -2.689864 -1.638858 0.193357
C -4.265417 0.064828 -0.598691
C -3.981056 -1.304274 -0.312332
H 0.720954 3.297557 1.528220
H 2.181696 2.365096 1.051849
H 0.089233 1.097408 -2.300477
H 1.503870 0.427927 2.277107
H 2.904752 -2.214353 -2.481378
H 1.276826 -0.682689 -3.616748
H 4.050265 -2.976923 -0.407277
H 1.915013 3.251875 -1.335714
H 0.497386 4.210951 -0.780250
H 2.132794 4.570317 -0.146663
H 3.093794 -1.133667 3.411159
H 4.387997 -2.820484 2.068563
H -0.742001 -0.936165 0.785943
H -3.513750 2.104335 -0.576545
H -2.458901 -2.681683 0.443195
H -5.256995 0.346201 -0.974238
H -5.871157 -2.049621 -0.855141
H -4.748370 -3.262945 -0.300069


