%chk=000033551.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033551

0 1
 O    4.897600      -1.099400     -0.3294000    
 N   -1.410800      6.6999998E-03 -2.4400000E-02
 N   -4.253600      0.1276000      0.2267000    
 C   -2.122100       1.253200     -0.3240000    
 C   -2.111400     -0.9259000      0.8675000    
 C   -3.558900      0.9598000     -0.7630000    
 C   -3.547800      -1.149500      0.3891000    
 C  -1.1600000E-02 -1.1800000E-02 -2.7200000E-02
 C   -5.640400     -0.1007000     -0.1776000    
 C   0.7303000       1.137800      0.3107000    
 C   0.6980000      -1.181000     -0.3669000    
 C    2.125000       1.118700      0.3092000    
 C    2.092700      -1.199900     -0.3685000    
 C    2.806300     -5.0099999E-02 -3.0400001E-02
 C    4.260600     -6.9499999E-02 -3.0800000E-02
 C    5.046000       1.184000      0.3390000    
 H   -1.623400       1.798600      -1.134900    
 H   -2.132300       1.899200      0.5633000    
 H   -2.111600     -0.5183000       1.886800    
 H   -1.610500      -1.899800      0.9092000    
 H   -4.082400       1.915900     -0.8836000    
 H   -3.548900      0.4671000      -1.744800    
 H   -3.536900      -1.709900     -0.5555000    
 H   -4.063200      -1.770800       1.131600    
 H   -5.712700     -0.6255000      -1.137100    
 H   -6.177000      0.8506000     -0.2636000    
 H   -6.168800     -0.6913000      0.5791000    
 H   0.2338000       2.062800      0.5933000    
 H   0.1631000      -2.086000     -0.6463000    
 H    2.640900       2.034300      0.5813000    
 H    2.600800      -2.121700     -0.6392000    
 H    4.820500       1.482400       1.366000    
 H    4.825400       1.990100     -0.3654000    
 H    6.117100      0.9660000      0.2780000    


%chk=000033551-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000033551

0 1
O 4.939819 -1.231700 -0.092716
N -1.429995 0.036974 0.243226
N -4.325237 0.017875 0.114537
C -2.190773 1.301525 0.183161
C -2.220071 -1.076799 0.816099
C -3.543025 1.096523 -0.528458
C -3.559437 -1.248687 0.079765
C -0.027129 0.017167 0.207943
C -5.677891 -0.120780 -0.459309
C 0.741987 1.227126 0.195962
C 0.701719 -1.219161 0.150372
C 2.143469 1.197022 0.113045
C 2.097779 -1.233063 0.071406
C 2.859228 -0.028916 0.047947
C 4.343405 -0.109381 -0.042252
C 5.152199 1.188553 -0.075674
H -1.618465 2.050907 -0.386693
H -2.373476 1.699373 1.205832
H -2.431962 -0.865333 1.887207
H -1.653026 -2.016916 0.763433
H -4.119752 2.038528 -0.472632
H -3.349637 0.874606 -1.610256
H -3.361647 -1.583728 -0.971308
H -4.149201 -2.035905 0.585270
H -5.672763 -0.405153 -1.541790
H -6.223600 0.834261 -0.358230
H -6.238385 -0.894279 0.095383
H 0.247003 2.198047 0.282466
H 0.170233 -2.175012 0.137391
H 2.685998 2.149117 0.114951
H 2.643941 -2.181089 0.014419
H 4.973449 1.794158 0.832572
H 4.876632 1.809080 -0.948962
H 6.222409 0.938762 -0.135908


