%chk=000131720.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131720

0 1
 O    3.315000     -0.1493000     -0.6627000    
 N   -4.049900      -2.478400      0.1314000    
 N  -0.9694000       3.087200      0.4445000    
 C   -2.248100     -0.2706000      0.1096000    
 C   -3.659900     -0.1083000     -0.4084000    
 C   -1.472900      0.9409000      0.1853000    
 C  -6.9100000E-02   1.092800      9.7000003E-03
 C   -4.271400      -1.437600     -0.8707000    
 C   -1.777000      -1.491600      0.4228000    
 C   -2.618100      -2.732000      0.3175000    
 C   0.2206000       2.448700      0.1773000    
 C   -1.998600       2.184200      0.4517000    
 C   0.9863000      0.2043000     -0.2767000    
 C    1.518000       2.962500      7.2300002E-02
 C    2.289300      0.7039000     -0.3846000    
 C    2.548800       2.062100     -0.2124000    
 C    3.183400      -1.492200     -0.2018000    
 C    4.566800      -2.044500      0.1057000    
 C    4.506200      -3.482100      0.5897000    
 H   -4.286200      0.3177000      0.3866000    
 H   -3.685700      0.5850000      -1.258600    
 H   -5.348100      -1.303700      -1.022400    
 H   -3.847800      -1.742500      -1.836100    
 H  -0.7747000      -1.639000      0.8091000    
 H   -2.238100      -3.343200     -0.5099000    
 H   -2.496100      -3.319000       1.234300    
 H   -4.509600      -3.340400     -0.1601000    
 H   -3.007700       2.518900      0.6507000    
 H   -1.068000       4.079000      0.6120000    
 H   0.7722000     -0.8396000     -0.4714000    
 H    1.721000       4.019700      0.2062000    
 H    3.566700       2.435000     -0.2994000    
 H    2.702500      -2.091300     -0.9837000    
 H    2.589400      -1.549900      0.7198000    
 H    5.195900      -1.980000     -0.7902000    
 H    5.054200      -1.417100      0.8617000    
 H    3.916100      -3.562900       1.508100    
 H    5.513800      -3.854100      0.8001000    
 H    4.055400      -4.132200     -0.1670000    


%chk=000131720-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131720

0 1
O 3.504672 -0.041102 0.135523
N -4.166325 -2.447149 0.249867
N -1.033240 3.207849 0.018442
C -2.349558 -0.258693 0.011293
C -3.794326 -0.125306 -0.474627
C -1.528281 0.965058 0.017881
C -0.073899 1.129198 0.079630
C -4.396702 -1.493098 -0.852771
C -1.895899 -1.476666 0.439506
C -2.737898 -2.734455 0.483822
C 0.198028 2.541140 0.084486
C -2.061011 2.265172 -0.030458
C 1.025007 0.223122 0.089357
C 1.510171 3.062790 0.126048
C 2.334584 0.746580 0.125919
C 2.578417 2.153171 0.154219
C 3.345364 -1.502261 0.102796
C 4.749813 -2.111505 0.121236
C 4.703227 -3.654749 0.081208
H -4.413472 0.332138 0.323214
H -3.835316 0.548375 -1.353537
H -5.485985 -1.395749 -1.015517
H -3.940810 -1.829057 -1.819020
H -0.876740 -1.585330 0.825302
H -2.310731 -3.464902 -0.256313
H -2.628655 -3.208234 1.480870
H -4.735031 -3.298443 0.174178
H -3.102589 2.577519 -0.072012
H -1.156884 4.217215 0.010921
H 0.855209 -0.853748 0.040998
H 1.699638 4.141818 0.132515
H 3.616726 2.496065 0.187504
H 2.796951 -1.800455 -0.816730
H 2.757225 -1.835695 0.985070
H 5.317522 -1.722201 -0.744435
H 5.275888 -1.766737 1.030938
H 4.156568 -4.063980 0.951795
H 5.722807 -4.078784 0.095822
H 4.200734 -4.018511 -0.834942


