%chk=000069759.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000069759

0 1
 O    4.040700      0.1157000     -0.4502000    
 N   -1.437600     -0.7335000     -1.1800000E-02
 C   -2.422700     -5.0000001E-02 -0.8285000    
 C   -3.727200     -0.8525000     -0.8609000    
 C   -2.649200       1.370400     -0.3013000    
 C   -4.475000     -0.8204000      0.4721000    
 C   -3.400600       1.394600       1.029900    
 C   -4.705500      0.6081000      0.9547000    
 C  -7.5499997E-02 -0.5224000     -0.1213000    
 C   0.8336000      -1.215600      0.7020000    
 C   0.4438000      0.3924000      -1.058600    
 C    2.207700      -1.002500      0.5922000    
 C    1.817900      0.6053000      -1.168300    
 C    2.699900     -9.2000000E-02 -0.3429000    
 C    4.820700     -5.3300001E-02  0.7325000    
 C    6.028900      0.8558000      0.6604000    
 H   -2.079300     -5.5999998E-03  -1.869200    
 H   -3.527600      -1.894600      -1.138900    
 H   -4.381000     -0.4371000      -1.638800    
 H   -3.239600       1.926100      -1.041600    
 H   -1.710000       1.920600     -0.1831000    
 H   -3.916500      -1.378800       1.232400    
 H   -5.440300      -1.327300      0.3594000    
 H   -3.614800       2.432300       1.310400    
 H   -2.766200      0.9775000       1.821400    
 H   -5.398200       1.115900      0.2723000    
 H   -5.183800      0.5918000       1.940400    
 H   -1.755800      -1.360900      0.7180000    
 H   0.4671000      -1.933700       1.432600    
 H  -0.1914000      0.9620000      -1.729800    
 H    2.861000      -1.585900       1.234200    
 H    2.196400       1.315300      -1.898700    
 H    4.258500      0.2183000       1.634800    
 H    5.146000      -1.097100      0.8030000    
 H    6.656900      0.7440000       1.548900    
 H    6.629500      0.6292000     -0.2268000    
 H    5.719500       1.902800      0.5758000    


%chk=000069759-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000069759

0 1
O 4.072784 0.580398 -0.184475
N -1.459475 -0.683808 -0.028115
C -2.490038 -0.052248 -0.866802
C -3.758828 -0.942787 -0.896758
C -2.854902 1.386971 -0.387266
C -4.524736 -0.951132 0.450610
C -3.597846 1.370901 0.968608
C -4.866836 0.487764 0.907101
C -0.095594 -0.362593 -0.051186
C 0.800682 -0.992151 0.858592
C 0.454065 0.575048 -0.979208
C 2.183746 -0.711222 0.849288
C 1.833231 0.852994 -0.991709
C 2.709988 0.218014 -0.081537
C 5.010250 -0.050831 0.757638
C 6.396179 0.510454 0.447632
H -2.096398 0.011143 -1.903336
H -3.480196 -1.971684 -1.196614
H -4.433690 -0.547906 -1.681475
H -3.497236 1.861664 -1.158360
H -1.935414 1.996616 -0.309694
H -3.922062 -1.450173 1.238937
H -5.448297 -1.552363 0.345451
H -3.863850 2.403714 1.264762
H -2.914019 0.981746 1.750070
H -5.585768 0.933345 0.188182
H -5.370464 0.467166 1.892908
H -1.768862 -1.358292 0.670382
H 0.409017 -1.717786 1.583473
H -0.191474 1.088261 -1.698128
H 2.829826 -1.223358 1.568963
H 2.250915 1.570257 -1.705636
H 4.707471 0.184247 1.800086
H 4.986796 -1.153461 0.626721
H 7.149972 0.064838 1.122211
H 6.681071 0.285247 -0.594492
H 6.410295 1.605905 0.579875


