%chk=000028890.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028890

0 1
 O    1.016100       1.481000      -1.012000    
 N  -0.6402000      0.1977000      8.8100001E-02
 N   -3.452100       2.654200     -0.1017000    
 C   -1.515600       1.244400      0.5685000    
 C   -2.501200       1.638300     -0.5391000    
 C   -1.178100      -1.159400      4.4700000E-02
 C  -0.6826000       2.418600       1.077300    
 C   0.6646000      0.4512000     -0.4299000    
 C   -1.315300      -1.750700      -1.178400    
 C   -1.510400      -1.750400       1.229800    
 C    1.683800     -0.6555000     -0.1794000    
 C   -4.282200       2.172600       1.034300    
 C   -4.287500       3.091900      -1.221500    
 C   -1.830000      -3.046500      -1.220000    
 C   -2.025000      -3.046200       1.188100    
 C  -0.9449000      -1.082900      -2.463100    
 C   -1.351100      -1.082500       2.557300    
 C    3.097600     -0.1461000     -3.3799998E-02
 C   -2.184700      -3.694200     -3.6800001E-02
 C    3.898300     -3.4100000E-02  -1.159400    
 C    3.568700      0.2006000       1.222500    
 C    5.204400      0.4367000      -1.025100    
 C    4.874800      0.6715000       1.356800    
 C    5.692600      0.7896000      0.2328000    
 H   -2.083400      0.8716000       1.414500    
 H   -3.042600      0.7546000     -0.9015000    
 H   -1.927400       2.023900      -1.392600    
 H  -0.2639000       3.025000      0.2683000    
 H   -1.307200       3.095100       1.672100    
 H   0.1333000       2.088200       1.729800    
 H    1.641500      -1.375000      -1.003800    
 H    1.423800      -1.210600      0.7296000    
 H   -4.760100       1.213000      0.8091000    
 H   -5.069600       2.902600       1.255600    
 H   -3.697100       2.084400       1.953700    
 H   -3.670100       3.494600      -2.032000    
 H   -4.957000       3.900200     -0.9072000    
 H   -4.897700       2.274500      -1.622000    
 H   -1.958300      -3.565600      -2.166100    
 H   -2.307900      -3.562300       2.101900    
 H   -1.505100      -1.520900      -3.298100    
 H   -1.192300     -1.8800000E-02  -2.473100    
 H   0.1177000      -1.214400      -2.683300    
 H   -1.099000      -1.831000       3.319200    
 H  -0.5263000     -0.3646000       2.584400    
 H   -2.284600     -0.6079000       2.874000    
 H   -2.585400      -4.703100     -6.9100000E-02
 H    3.526200     -0.3046000      -2.143400    
 H    2.938100      0.1149000       2.102900    
 H    5.841000      0.5292000      -1.900200    
 H    5.254700      0.9472000       2.336200    
 H    6.709400       1.156600      0.3374000    


%chk=000028890-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000028890

0 1
O 0.513620 1.789712 -1.705469
N -0.565349 0.305899 -0.257484
N -3.574808 2.682901 -0.283164
C -1.497416 1.376398 0.264283
C -2.485907 1.853154 -0.844320
C -0.822441 -1.066528 0.156290
C -0.760530 2.574840 0.897384
C 0.439377 0.637617 -1.167967
C -1.371586 -1.998133 -0.780025
C -0.550493 -1.455720 1.503686
C 1.541173 -0.405144 -1.435990
C -4.656991 1.889675 0.331251
C -4.093226 3.687471 -1.232562
C -1.651861 -3.315973 -0.339604
C -0.848111 -2.783023 1.900031
C -1.632855 -1.632992 -2.231089
C 0.065591 -0.495423 2.503117
C 2.704735 -0.240226 -0.455423
C -1.398332 -3.710018 0.990490
C 3.397279 0.995560 -0.360821
C 3.116251 -1.320834 0.364593
C 4.480806 1.142267 0.532919
C 4.203291 -1.175366 1.257532
C 4.889934 0.057213 1.344434
H -2.088602 0.868189 1.049100
H -2.892108 0.960992 -1.382381
H -1.911033 2.449342 -1.573055
H -0.105488 3.062756 0.158527
H -1.523859 3.299342 1.229909
H -0.150949 2.268456 1.763964
H 1.887701 -0.212905 -2.467115
H 1.160875 -1.437090 -1.380910
H -5.221543 1.270404 -0.412578
H -5.375601 2.563807 0.831234
H -4.250384 1.206600 1.097516
H -3.263256 4.316857 -1.597460
H -4.819961 4.342995 -0.718335
H -4.606931 3.239927 -2.121240
H -2.077267 -4.033080 -1.051537
H -0.634758 -3.088226 2.931229
H -2.340499 -2.344788 -2.689280
H -2.043469 -0.615406 -2.336920
H -0.702923 -1.662755 -2.831675
H 0.462183 -1.043752 3.374394
H 0.891042 0.079663 2.049409
H -0.674543 0.236049 2.880034
H -1.624396 -4.731922 1.314564
H 3.074315 1.835889 -0.986310
H 2.584548 -2.278483 0.303335
H 5.008554 2.100968 0.594571
H 4.512743 -2.021854 1.881358
H 5.734159 0.171298 2.033856


