%chk=000152318.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152318

0 1
 O    1.812900      -2.864500       1.721400    
 N   0.8766000      -1.053500     -0.2080000    
 N    2.349500     -7.5700000E-02  -1.519900    
 N   0.4180000      0.7276000       1.370200    
 N    1.728300       2.713900      0.8281000    
 N    3.232400       2.792700      -1.031700    
 C  -8.7000001E-03  -2.105100      0.3202000    
 C   -1.083800      -2.553500     -0.6938000    
 C   -2.006100      -1.438300      -1.207300    
 C   -2.758800     -0.7113000     -9.0000004E-02
 C   0.8062000      -3.309800      0.8193000    
 C   -3.612600      0.4552000     -0.5971000    
 C    1.022600      0.1858000      0.3023000    
 C   -4.383000       1.168100      0.5152000    
 C    1.676800      -1.184100      -1.290600    
 C    1.950300      0.7889000     -0.5318000    
 C   -5.156600       2.361700     -2.3900000E-02
 C    2.300000       2.103000     -0.2375000    
 C   0.8359000       1.998800       1.555000    
 H  -0.4943000      -1.675300       1.203700    
 H  -0.6049000      -3.027100      -1.560300    
 H   -1.705900      -3.327900     -0.2265000    
 H   -2.731500      -1.876800      -1.903500    
 H   -1.420700     -0.7143000      -1.786200    
 H   -2.061200     -0.3104000      0.6496000    
 H   -3.400000      -1.429000      0.4361000    
 H    1.297300      -3.831200     -9.3000000E-03
 H   0.1589000      -4.020600       1.343600    
 H   -4.321600      8.3700001E-02  -1.347300    
 H   -2.961000       1.176400      -1.106500    
 H   -3.685800       1.511900       1.288100    
 H   -5.078300      0.4681000      0.9924000    
 H    1.744400      -2.087700      -1.881000    
 H   -5.882200       2.048900     -0.7814000    
 H   -4.481600       3.095400     -0.4760000    
 H   -5.702300       2.856200      0.7858000    
 H    2.301100      -3.652700       2.014600    
 H   0.3974000       2.519300       2.399700    
 H    3.470400       3.746800     -0.7973000    
 H    3.660600       2.338700      -1.827200    


%chk=000152318-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000152318

0 1
O 1.712430 -2.992364 1.829617
N 0.969854 -1.145226 -0.236598
N 2.633755 -0.190460 -1.505149
N 0.379180 0.809427 1.183037
N 1.754279 2.781819 0.654605
N 3.421349 2.776545 -1.021198
C 0.028442 -2.146836 0.314393
C -1.085801 -2.501593 -0.706344
C -1.941484 -1.295733 -1.161416
C -2.781280 -0.651146 -0.033923
C 0.774992 -3.405599 0.783065
C -3.679646 0.497606 -0.544815
C 1.093553 0.174781 0.207722
C -4.525454 1.149646 0.572587
C 1.914904 -1.303948 -1.258873
C 2.125231 0.746352 -0.586271
C -5.406826 2.309792 0.061903
C 2.446433 2.110615 -0.325967
C 0.777982 2.106395 1.338876
H -0.413190 -1.664301 1.205140
H -0.625411 -2.985153 -1.592634
H -1.746372 -3.259049 -0.237368
H -2.621069 -1.639251 -1.967683
H -1.285780 -0.526273 -1.616758
H -2.111555 -0.251971 0.752973
H -3.415372 -1.429629 0.441734
H 1.304887 -3.885257 -0.069572
H 0.023983 -4.125077 1.173170
H -4.354695 0.118830 -1.341679
H -3.042734 1.274108 -1.017620
H -3.848135 1.520265 1.368428
H -5.166141 0.376194 1.044091
H 2.045099 -2.243183 -1.791609
H -6.110489 1.961439 -0.718064
H -4.786562 3.111848 -0.380824
H -6.002708 2.756409 0.879259
H 2.229782 -3.773862 2.146801
H 0.254481 2.683636 2.107005
H 3.612426 3.749557 -0.792506
H 3.946361 2.292948 -1.746334


