%chk=000120889.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000120889

0 1
 O   -1.031000      -2.136000      0.5535000    
 N    1.318800     -0.7674000     -0.3241000    
 N    3.676900     -0.9782000     -0.5914000    
 C   -2.383800     -0.1815000      0.2451000    
 C   -2.553500       1.114900     -0.5586000    
 C   -3.615900      -1.083700      9.3500003E-02
 C   -3.840900       1.845600     -0.1844000    
 C   -4.901600     -0.3492000      0.4664000    
 C   -1.117800     -0.9206000     -0.1845000    
 C   -5.062500      0.9432000     -0.3280000    
 C   0.1240000     -8.5500002E-02  9.8499998E-02
 C    2.599900     -0.2587000     -0.1582000    
 C    2.742100      0.9902000      0.4558000    
 C    4.018800       1.513100      0.6292000    
 C    4.902100     -0.4378000     -0.4057000    
 C    5.124600      0.7919000      0.1929000    
 H   -2.300400      7.2400004E-02   1.311600    
 H   -2.560000      0.8943000      -1.633500    
 H   -1.730700       1.811900     -0.3760000    
 H   -3.527400      -1.971400      0.7304000    
 H   -3.692300      -1.440800     -0.9416000    
 H   -3.960800       2.730600     -0.8196000    
 H   -3.770800       2.202400      0.8506000    
 H   -4.892900     -0.1199000       1.539200    
 H   -5.763800      -1.001400      0.2866000    
 H   -1.170200      -1.184500      -1.248200    
 H   -5.957400       1.476500      1.2100000E-02
 H   -5.216200      0.7034000      -1.387300    
 H   7.4800000E-02  0.8675000     -0.4338000    
 H   0.1778000      0.1089000       1.177100    
 H  -0.2372000      -2.610600      0.2555000    
 H    1.248200      -1.662100     -0.7949000    
 H    1.903000       1.580700      0.8072000    
 H    4.152500       2.480900       1.103000    
 H    5.731000      -1.039600     -0.7631000    
 H    6.129000       1.180000      0.3175000    


%chk=000120889-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000120889

0 1
O -0.806390 -1.757302 0.730077
N 1.345771 -0.455265 -0.583760
N 3.625216 -0.771156 -0.919565
C -2.414803 -0.017820 0.191087
C -2.817830 1.154321 -0.743521
C -3.539679 -1.086440 0.231994
C -4.185669 1.761428 -0.344548
C -4.900834 -0.476993 0.637736
C -1.079031 -0.671488 -0.224405
C -5.297458 0.687579 -0.299296
C 0.128265 0.296875 -0.235738
C 2.648186 -0.111408 -0.212220
C 2.959341 0.819619 0.823760
C 4.314369 1.046283 1.132872
C 4.925302 -0.531349 -0.598139
C 5.328995 0.363389 0.418215
H -2.279470 0.378658 1.221040
H -2.875568 0.780809 -1.788521
H -2.050487 1.952573 -0.729405
H -3.245056 -1.895288 0.922768
H -3.631784 -1.543198 -0.777351
H -4.458088 2.569320 -1.051389
H -4.094575 2.230187 0.657526
H -4.839202 -0.101576 1.680530
H -5.682507 -1.261243 0.627653
H -1.197183 -1.099426 -1.250618
H -6.252801 1.140810 0.029770
H -5.464832 0.291477 -1.322629
H -0.046982 1.134921 -0.941093
H 0.239832 0.716706 0.779463
H 0.157005 -1.990354 0.632610
H 1.319893 -1.015091 -1.443528
H 2.172853 1.346882 1.370127
H 4.576532 1.754617 1.926542
H 5.665911 -1.081858 -1.190243
H 6.389160 0.520301 0.634999


