%chk=000050905.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050905

0 1
 O    1.424000       2.624700      -1.157400    
 O    5.127100     -0.8326000      0.3900000    
 N   -2.094800     -0.2736000       1.372500    
 C   0.5697000       1.146400      0.6107000    
 C  -0.6708000      0.9255000     -0.2521000    
 C   -1.138800     -0.4494000      0.2815000    
 C   2.8700000E-02   1.116500       2.115700    
 C   -1.552200      0.8310000       2.254000    
 C  -0.4723000      -1.564600     -0.5111000    
 C    1.544800     -5.2700002E-02  0.2632000    
 C  -0.4104000       1.137700      -1.752000    
 C   -3.940700      -1.134400      5.7999999E-03
 C    1.153800       2.526200      0.2458000    
 C   -3.450000     -1.9200001E-02  0.9134000    
 C    1.054700      -1.289900     -0.3296000    
 C   -5.302800      -1.016500     -0.5695000    
 C   -4.093300     -0.8404000      -1.440100    
 C   0.2437000       2.502900      -1.954100    
 C    2.918600      6.1500002E-02  0.5115000    
 C    1.952900      -2.299100     -0.6921000    
 C    3.792200     -0.9680000      0.1501000    
 C    3.315800      -2.131900     -0.4561000    
 H   -1.416800       1.701200     -2.7700000E-02
 H  -0.5001000     -0.7879000       1.111100    
 H   0.2334000       2.074900       2.608200    
 H   0.5701000      0.3538000       2.690800    
 H   -1.768700      0.5750000       3.297400    
 H   -2.072100       1.776300       2.048500    
 H  -0.7572000      -1.565600      -1.567000    
 H  -0.7229000      -2.546300     -8.9500003E-02
 H   -1.351400       1.082300      -2.310400    
 H   0.2577000      0.3840000      -2.176600    
 H   -3.634400      -2.124300      0.3208000    
 H   0.4596000       3.331100      0.5208000    
 H    2.085600       2.730300      0.7813000    
 H   -4.113200      1.1300000E-02   1.786600    
 H   -3.540500      0.9528000      0.4125000    
 H   -5.892600     -0.1367000     -0.3437000    
 H   -5.882800      -1.923000     -0.6927000    
 H   -3.857000      -1.630300      -2.142800    
 H   -3.877700      0.1559000      -1.805500    
 H   0.5336000       2.625100      -3.002500    
 H  -0.4472000       3.317300      -1.706600    
 H    3.320200      0.9518000      0.9862000    
 H    1.595000      -3.222900      -1.138100    
 H    4.007000      -2.923700     -0.7337000    
 H    5.287400      2.8899999E-02  0.8117000    


%chk=000050905-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050905

0 1
O 1.438918 2.708504 -1.098835
O 5.207776 -0.838405 0.212079
N -2.153048 -0.296962 1.404859
C 0.578144 1.155008 0.661111
C -0.674497 0.920719 -0.207323
C -1.046287 -0.467534 0.430476
C -0.012882 1.104997 2.166001
C -1.584703 0.836280 2.293134
C -0.516321 -1.583477 -0.474702
C 1.520892 -0.055914 0.259919
C -0.409226 1.132747 -1.712055
C -4.110455 -1.131786 0.117651
C 1.190767 2.536576 0.340568
C -3.511317 0.022663 0.906691
C 1.017897 -1.272232 -0.365459
C -5.317995 -0.878682 -0.795699
C -3.946744 -1.207333 -1.408448
C 0.202738 2.540466 -1.890621
C 2.916320 0.067039 0.446247
C 1.945453 -2.257992 -0.772955
C 3.814652 -0.944514 0.031941
C 3.335867 -2.114040 -0.590454
H -1.448598 1.666258 0.065157
H -0.294052 -0.646167 1.209797
H 0.167075 2.082999 2.659432
H 0.544511 0.356235 2.758658
H -1.810315 0.603185 3.351822
H -2.110523 1.787545 2.052212
H -0.878776 -1.559642 -1.518751
H -0.712241 -2.593055 -0.066528
H -1.350133 1.066676 -2.294167
H 0.293416 0.388198 -2.122210
H -4.090854 -2.085193 0.657753
H 0.477300 3.318452 0.691918
H 2.166005 2.721640 0.823025
H -4.147592 0.230299 1.790593
H -3.532489 0.950426 0.272967
H -5.681813 0.150345 -0.886745
H -6.104193 -1.637558 -0.841242
H -3.805811 -2.189052 -1.870263
H -3.405344 -0.394182 -1.904125
H 0.512726 2.725951 -2.932396
H -0.533541 3.320985 -1.587939
H 3.322467 0.979966 0.901204
H 1.564677 -3.176975 -1.234980
H 4.043934 -2.884422 -0.908515
H 5.443113 0.032356 0.618398


