%chk=000050059.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050059

0 1
 O   -3.768000       1.050700      0.4135000    
 O    3.822900     -0.4580000      0.1706000    
 O    2.646000       1.240700     -0.8088000    
 N    7.439000     -0.3344000     -0.5490000    
 N    1.595400     -0.3952000      0.5030000    
 C   -7.053300     -0.6868000     -0.1381000    
 C   -5.989800      0.4070000     -0.2052000    
 C   -8.310700     -0.2880000     -0.9099000    
 C   -4.718200      3.0000001E-04  0.5257000    
 C   -9.359100      -1.388600     -0.8738000    
 C    6.191200     -0.8203000      2.1000000E-02
 C   -2.445000      0.6929000      0.4340000    
 C    5.029000      6.6000000E-02 -0.3972000    
 C   0.2483000     -3.2900002E-02  0.4793000    
 C   -2.038700     -0.4358000       1.146100    
 C   -1.504600       1.458500     -0.2553000    
 C    7.953900      0.8000000      0.2218000    
 C    8.437300      -1.405500     -0.5998000    
 C  -0.6922000     -0.7986000       1.168700    
 C  -0.1580000       1.095700     -0.2326000    
 C    2.674900      0.2323000     -0.1141000    
 H   -7.311000     -0.8868000      0.9091000    
 H   -6.649400      -1.617600     -0.5546000    
 H   -6.375900       1.339500      0.2252000    
 H   -5.747900      0.6371000      -1.250600    
 H   -8.054700     -7.1599998E-02  -1.953700    
 H   -8.734500      0.6284000     -0.4830000    
 H   -4.351100     -0.9279000      6.8499997E-02
 H   -4.934300     -0.1770000       1.585700    
 H   -10.25010      -1.081800      -1.430500    
 H   -9.660600      -1.609400      0.1552000    
 H   -8.977000      -2.309600      -1.325500    
 H    5.966900      -1.831100     -0.3471000    
 H    6.237000     -0.9162000       1.114100    
 H    4.934300      7.8500003E-02  -1.490000    
 H    5.159100       1.091800     -3.6600001E-02
 H   -2.733800      -1.042600       1.718600    
 H   -1.816800       2.338700     -0.8110000    
 H    8.147100      0.5367000       1.268400    
 H    8.892200       1.161000     -0.2151000    
 H    7.265700       1.650400      0.1998000    
 H    9.367300      -1.044100      -1.052600    
 H    8.668100      -1.801300      0.3959000    
 H    8.085700      -2.231300      -1.228400    
 H  -0.3881000      -1.676800       1.732700    
 H   0.5117000       1.736600     -0.7891000    
 H    1.821200      -1.227900       1.041900    


%chk=000050059-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050059

0 1
O -3.483153 0.615042 -0.155893
O 4.094554 -1.260527 -1.152361
O 3.147170 0.860606 -0.716784
N 7.349317 -0.005499 0.318475
N 1.855631 -1.120320 -0.920387
C -7.130670 -0.481712 0.076390
C -5.883866 0.432574 0.073117
C -8.439586 0.295446 0.346481
C -4.596122 -0.350890 -0.189047
C -9.685982 -0.615298 0.356328
C 6.017971 -0.653128 0.301577
C -2.183886 0.119134 -0.355923
C 5.447014 -0.644852 -1.129445
C 0.520535 -0.661396 -0.728195
C -1.867099 -1.241203 -0.594409
C -1.143815 1.079794 -0.307128
C 7.274735 1.469853 0.380600
C 8.262811 -0.557118 1.338093
C -0.520452 -1.620401 -0.778062
C 0.197770 0.703054 -0.490212
C 3.020110 -0.376697 -0.903544
H -7.012489 -1.272512 0.846783
H -7.214372 -1.005327 -0.899089
H -5.793211 0.952074 1.046349
H -5.990950 1.216670 -0.700808
H -8.560013 1.083513 -0.424252
H -8.355370 0.821778 1.318833
H -4.628554 -0.848577 -1.181755
H -4.439387 -1.127050 0.590265
H -10.607706 -0.036554 0.549497
H -9.603889 -1.391551 1.140464
H -9.808515 -1.131204 -0.614779
H 6.125246 -1.701880 0.632949
H 5.292103 -0.157907 0.990633
H 6.056190 -1.272169 -1.797092
H 5.378207 0.381761 -1.528047
H -2.646161 -2.007294 -0.639095
H -1.407778 2.125686 -0.122730
H 6.886674 1.843930 1.361328
H 8.279913 1.899447 0.220190
H 6.610326 1.855723 -0.410690
H 9.264921 -0.107037 1.216327
H 7.928982 -0.365957 2.389641
H 8.362818 -1.648513 1.202133
H -0.283378 -2.676145 -0.961808
H 0.996180 1.446761 -0.451239
H 1.988626 -2.118432 -1.096479


