%chk=000051098.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051098

0 1
 O    1.948100       2.428700      -1.054600    
 N   0.7567000       2.536500      0.9357000    
 N  -0.3144000       3.119000      0.3342000    
 N   -1.315200       1.003600      0.1485000    
 N   -2.578800       2.993600     -0.2844000    
 N   -3.678800       2.261500     -0.5572000    
 C    2.957900       1.554900      0.9411000    
 C    3.244600      0.1720000      0.4199000    
 C    1.851200       2.224800      0.1544000    
 C    2.556100     -0.9127000      0.9452000    
 C    4.193100      7.9999998E-04 -0.5789000    
 C   -2.310500      -1.128300     -3.8600001E-02
 C   -2.426800      0.3111000     -0.1292000    
 C    2.821500      -2.194100      0.4623000    
 C    4.458300      -1.280700      -1.061800    
 C   -3.420400      -1.896900      0.3125000    
 C   -1.088800      -1.747700     -0.3027000    
 C    3.772500      -2.378100     -0.5412000    
 C   -1.453200       2.334600      5.4200001E-02
 C   -3.308700      -3.284500      0.3997000    
 C  -0.9771000      -3.135300     -0.2156000    
 C   -3.600300      0.9207000     -0.4790000    
 C   -2.087200      -3.903700      0.1355000    
 H    2.712900       1.507400       2.009200    
 H    3.851800       2.187000      0.8688000    
 H    1.811500     -0.7795000       1.725100    
 H    4.731800      0.8488000     -0.9923000    
 H   0.6797000       2.368900       1.932800    
 H    2.288700      -3.048700      0.8687000    
 H    5.198500      -1.424000      -1.843600    
 H   -4.383800      -1.453000      0.5487000    
 H  -0.2102000      -1.177900     -0.5944000    
 H    3.978900      -3.375800     -0.9172000    
 H  -0.3847000       4.127600      0.3361000    
 H   -4.171300      -3.883000      0.6780000    
 H  -2.8300000E-02  -3.619400     -0.4269000    
 H   -4.514100      0.3995000     -0.7329000    
 H   -2.000200      -4.984100      0.2031000    


%chk=000051098-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000051098

0 1
O 1.705469 2.741636 -0.972037
N 0.864471 2.698206 1.204280
N -0.381938 3.207469 0.845692
N -1.218171 1.044485 0.350322
N -2.455533 3.102428 -0.209392
N -3.461271 2.358398 -0.759522
C 3.077456 1.697174 0.794125
C 3.094893 0.211190 0.430164
C 1.840493 2.416368 0.236881
C 3.202114 -0.774835 1.442388
C 3.022578 -0.199866 -0.926421
C -2.113510 -1.168542 -0.164154
C -2.236064 0.308448 -0.197214
C 3.247754 -2.148944 1.108997
C 3.065159 -1.571373 -1.259228
C -3.232623 -2.014162 -0.402784
C -0.849088 -1.758448 0.111671
C 3.181405 -2.551043 -0.244376
C -1.368493 2.397055 0.297263
C -3.088061 -3.416286 -0.368528
C -0.707165 -3.159907 0.139871
C -3.349619 0.993100 -0.770667
C -1.824868 -3.994535 -0.099401
H 3.146865 1.820013 1.890410
H 3.953445 2.203693 0.348725
H 3.260832 -0.469843 2.494904
H 2.921027 0.558434 -1.710934
H 0.935652 2.291043 2.139664
H 3.340748 -2.898572 1.903069
H 3.007662 -1.876068 -2.310104
H -4.222269 -1.585256 -0.593394
H 0.008797 -1.103572 0.291218
H 3.226532 -3.614044 -0.507427
H -0.461919 4.211842 0.670616
H -3.958401 -4.057227 -0.546055
H 0.276349 -3.596512 0.343086
H -4.175396 0.476122 -1.262316
H -1.714313 -5.084468 -0.076196


