%chk=000039642.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039642

0 1
 O   0.7676000      -1.074900       1.766300    
 N    4.772000      0.3681000      7.6300003E-02
 N    1.332100     -0.9476000     -0.4791000    
 C    3.331600      0.4242000     -0.1378000    
 C    2.765100     -0.9794000     -0.2937000    
 C   -1.728600      0.2102000      9.9799998E-02
 C  -0.9972000     -0.9822000      0.2251000    
 C   -3.099700      0.1478000     -0.2451000    
 C   0.4196000     -0.9983000      0.5777000    
 C   -1.608900      -2.218200      1.3800000E-02
 C   -1.129300       1.463000      0.3090000    
 C   -3.699000      -1.104900     -0.4547000    
 C   -3.831200       1.340100     -0.3706000    
 C    5.318600       1.713300      0.2652000    
 C    5.435600     -0.2955000      -1.047600    
 C   -2.957200      -2.279400     -0.3258000    
 C   -1.871400       2.637400      0.1803000    
 C   -3.219800       2.576100     -0.1588000    
 H    3.077900       1.029400      -1.018800    
 H    2.849300      0.9058000      0.7227000    
 H    2.996000      -1.595200      0.5831000    
 H    3.147000      -1.488200      -1.183200    
 H   0.9778000     -0.8824000      -1.429200    
 H   -1.044200      -3.142300      0.1108000    
 H  -7.9300001E-02   1.556000      0.5762000    
 H   -4.751600      -1.176600     -0.7208000    
 H   -4.886400       1.316100     -0.6349000    
 H    4.845500       2.204000       1.123200    
 H    5.173600       2.346200     -0.6179000    
 H    6.391100       1.666600      0.4850000    
 H    5.247600      -1.373400      -1.054800    
 H    6.524700     -0.2015000     -0.9557000    
 H    5.147200      0.1302000      -2.015700    
 H   -3.432900      -3.241900     -0.4904000    
 H   -1.396200       3.600200      0.3450000    
 H   -3.796900       3.490800     -0.2588000    


%chk=000039642-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039642

0 1
O 0.802779 0.189244 1.581745
N 4.977350 0.219691 -0.107494
N 1.411539 -1.122422 -0.235460
C 3.528222 0.215418 -0.400746
C 2.845746 -1.084853 0.096936
C -1.914959 0.436074 0.162466
C -0.965716 -0.655004 0.094692
C -3.274354 0.200491 -0.291112
C 0.464334 -0.479548 0.552046
C -1.382465 -1.913092 -0.372208
C -1.572381 1.747390 0.638894
C -3.651321 -1.098543 -0.766399
C -4.225566 1.273718 -0.256353
C 5.534434 1.580193 0.034311
C 5.764798 -0.604492 -1.045083
C -2.724578 -2.140216 -0.800288
C -2.522516 2.771433 0.657125
C -3.859943 2.537872 0.206900
H 3.316577 0.353087 -1.493391
H 3.055368 1.057834 0.134170
H 2.952490 -1.131948 1.193156
H 3.327764 -1.977847 -0.340128
H 1.115497 -1.530030 -1.123412
H -0.677927 -2.752811 -0.369766
H -0.561700 1.921475 1.015690
H -4.684426 -1.261869 -1.095780
H -5.248504 1.081542 -0.601813
H 4.974066 2.132026 0.808919
H 5.502022 2.177898 -0.912225
H 6.589320 1.516124 0.357963
H 5.394949 -1.644727 -1.052256
H 6.820189 -0.629658 -0.719936
H 5.735521 -0.220460 -2.097819
H -3.020155 -3.136473 -1.145883
H -2.243826 3.763955 1.028079
H -4.592527 3.352125 0.230558


