%chk=000052758.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052758

0 1
 O   -3.580800      -1.572000     -0.1495000    
 N   -5.315600      0.5601000     -5.3500000E-02
 N   -7.245500      0.3255000      -1.084800    
 C    2.657100     -0.1261000      0.7248000    
 C    3.430300      0.1000000     -0.5894000    
 C    1.178300     -0.2162000      0.5519000    
 C    4.926500      0.1507000     -0.3977000    
 C   -1.587400     -0.3842000      0.2270000    
 C   0.3963000      0.9368000      0.6224000    
 C   0.5773000      -1.453300      0.3189000    
 C  -0.9865000      0.8528000      0.4600000    
 C  -0.8056000      -1.537300      0.1565000    
 C   -3.884200      0.8008000      0.1371000    
 C   -3.029200     -0.4720000      5.7900000E-02
 C    5.538100       1.368000     -0.1420000    
 C    5.662600      -1.021000     -0.4802000    
 C    6.920800       1.415000      3.5500001E-02
 C    7.045300     -0.9739000     -0.3027000    
 C   -6.205200      0.2828000      0.9286000    
 C    7.674300      0.2441000     -4.4700000E-02
 C   -5.965200      0.5789000      -1.242100    
 C   -7.401800      0.1404000      0.2661000    
 H    2.893000      0.6802000       1.432900    
 H    3.020800      -1.040900       1.212500    
 H    3.092000       1.030400      -1.065200    
 H    3.184400     -0.6938000      -1.307800    
 H   0.8535000       1.906500      0.8011000    
 H    1.176100      -2.358400      0.2596000    
 H   -1.555000       1.775400      0.5222000    
 H   -1.249500      -2.512600     -2.4499999E-02
 H   -3.578700       1.504000     -0.6450000    
 H   -3.773500       1.262900       1.123900    
 H    4.959200       2.284800     -7.5400002E-02
 H    5.181200      -1.974400     -0.6784000    
 H    7.410700       2.363200      0.2369000    
 H    7.632200      -1.885700     -0.3645000    
 H   -5.936100      0.2093000       1.973000    
 H   -5.473900      0.7772000      -2.184900    
 H    8.750900      0.2806000      9.3900003E-02
 H   -8.367600     -8.6999997E-02  0.6932000    


%chk=000052758-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052758

0 1
O -3.647990 -1.613121 -0.044017
N -5.368450 0.601275 -0.078801
N -7.380599 0.652641 -1.129542
C 2.726311 -0.127975 0.793155
C 3.434289 0.026133 -0.596119
C 1.216880 -0.208416 0.657222
C 4.946338 0.112578 -0.455136
C -1.621102 -0.350307 0.309840
C 0.420004 0.966824 0.677732
C 0.566625 -1.457498 0.461883
C -0.976816 0.902544 0.507221
C -0.826603 -1.530153 0.291228
C -3.946042 0.809733 0.160546
C -3.100327 -0.490028 0.124113
C 5.591811 1.368103 -0.313698
C 5.740491 -1.063046 -0.419311
C 6.991915 1.449021 -0.139210
C 7.140694 -0.988057 -0.244889
C -6.278724 -0.045957 0.768159
C 7.771606 0.269779 -0.102785
C -6.083059 0.997583 -1.213145
C -7.508578 -0.000032 0.109705
H 3.012777 0.731820 1.427379
H 3.118997 -1.038027 1.284170
H 3.039158 0.933131 -1.091618
H 3.152418 -0.836106 -1.229949
H 0.902936 1.938752 0.835798
H 1.164051 -2.377186 0.451053
H -1.554731 1.832869 0.534504
H -1.334035 -2.489368 0.143193
H -3.562702 1.507964 -0.606531
H -3.792641 1.300283 1.142202
H 4.994201 2.288108 -0.348583
H 5.259192 -2.042458 -0.537787
H 7.474391 2.427779 -0.037065
H 7.738886 -1.906161 -0.225075
H -5.976079 -0.489087 1.712680
H -5.617963 1.523881 -2.044221
H 8.857653 0.330332 0.029138
H -8.465587 -0.396553 0.440161


