%chk=000155306.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155306

0 1
 O   -3.329800       1.576900      0.5352000    
 O   -2.638900      -1.475400      0.8079000    
 O   -3.680700      0.9215000      -1.632300    
 N    1.458600       1.668600      -1.257600    
 N    3.255700       1.553200      4.1900001E-02
 C   -1.076300      0.9721000      0.7655000    
 C   -1.631900      0.2978000     -0.4844000    
 C   -2.333700       1.328700       1.533200    
 C   -1.807500      -1.205500     -0.3214000    
 C  -0.2774000       2.228900      0.4086000    
 C   -2.980600      0.9554000     -0.6315000    
 C    1.143400       1.923100      3.8600001E-02
 C  -0.4867000      -1.920300     -0.1427000    
 C    2.214300       1.862900      0.8704000    
 C   0.1906000      -2.379500      -1.259600    
 C   1.7800000E-02  -2.100500       1.134100    
 C    2.753900       1.446500      -1.225300    
 C    1.408800      -3.038500      -1.094900    
 C    1.236200      -2.759400       1.298600    
 C    1.931600      -3.228500      0.1841000    
 C    4.632500       1.371900      0.4317000    
 H  -0.4384000      0.3553000       1.397000    
 H   -1.027300      0.5234000      -1.369400    
 H   -2.683700      0.5257000       2.188600    
 H   -2.219500       2.226400       2.148900    
 H   -2.326500      -1.627600      -1.191600    
 H  -0.2520000       2.910600       1.269500    
 H  -0.7537000       2.790200     -0.4052000    
 H   -3.549600      -1.228000      0.5741000    
 H    2.337000       2.002900       1.935500    
 H  -0.2076000      -2.233300      -2.259400    
 H  -0.5069000      -1.763900       2.023000    
 H    3.373300       1.205200      -2.078300    
 H    1.950900      -3.402800      -1.962700    
 H    1.642000      -2.910600       2.294600    
 H    2.880100      -3.741800      0.3123000    
 H    5.280200       1.685700     -0.3908000    
 H    4.837500       1.982100       1.315100    
 H    4.785300      0.3134000      0.6557000    


%chk=000155306-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155306

0 1
O -3.465455 1.651759 0.407019
O -2.773409 -1.595776 0.556615
O -3.647361 0.827392 -1.754272
N 1.197388 1.751991 -1.317621
N 3.233527 1.454318 -0.368500
C -1.166916 1.031373 0.932341
C -1.585441 0.378085 -0.409675
C -2.519414 1.466449 1.554119
C -1.718624 -1.182217 -0.389278
C -0.226476 2.259470 0.732136
C -2.972002 0.960592 -0.717131
C 1.087726 1.931262 0.077898
C -0.421217 -1.876928 0.008416
C 2.341518 1.749368 0.671470
C 0.725437 -1.745137 -0.814936
C -0.342617 -2.664055 1.182190
C 2.495034 1.468096 -1.546874
C 1.931182 -2.393233 -0.470200
C 0.867376 -3.308482 1.529590
C 2.008382 -3.176708 0.705939
C 4.668754 1.179790 -0.233612
H -0.664946 0.296381 1.585358
H -0.888928 0.657919 -1.222411
H -2.948728 0.688961 2.206943
H -2.478499 2.435500 2.077685
H -2.004176 -1.487904 -1.418451
H -0.036912 2.717072 1.721746
H -0.754673 3.016522 0.119718
H -3.656210 -1.469819 0.126351
H 2.661593 1.800500 1.708844
H 0.679805 -1.134543 -1.724339
H -1.238951 -2.778443 1.797674
H 2.941550 1.280100 -2.521107
H 2.806616 -2.292902 -1.122698
H 0.915033 -3.920421 2.437778
H 2.942497 -3.685511 0.970678
H 5.097171 0.997642 -1.232437
H 5.192732 2.039269 0.219703
H 4.838635 0.285064 0.390332


