%chk=000132022.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132022

0 1
 O    1.358700       1.473500      0.8987000    
 O    5.825100       1.822100     -0.4959000    
 O   -5.188500       2.747400     -0.5202000    
 O   -3.242300       1.834500     -5.5000000E-02
 N    1.693500      -1.472100      0.5000000    
 N    4.868200     -0.2965000     -0.3993000    
 N    3.594300       1.673400      0.2032000    
 N   -4.510200     -0.7084000     -0.3783000    
 N    3.598100      -2.395100     -0.2006000    
 N   -6.348300      0.3183000      0.2864000    
 N   -4.489800       1.733900     -0.2331000    
 C   0.3233000      -1.389100      0.9457000    
 C  -0.6870000      -1.221100     -0.1929000    
 C   -2.128900      -1.072600      0.3056000    
 C    2.573300     -0.4435000      0.3210000    
 C   -3.139600     -0.9103000     -0.8335000    
 C    3.729900      -1.035600     -0.1079000    
 C    2.356600      -2.626800      0.1732000    
 C    2.405600      0.9605000      0.5132000    
 C    4.842500       1.113000     -0.2512000    
 C    6.077100     -0.9727000     -0.8531000    
 C   -5.105800      0.4832000     -0.1101000    
 C    3.547200       3.123300      0.3610000    
 C   -5.409400      -1.699300     -0.1445000    
 C   -6.543600      -1.040000      0.2676000    
 H   0.1067000      -2.312400       1.497500    
 H   0.2429000     -0.5739000       1.671400    
 H  -0.6213000      -2.082600     -0.8693000    
 H  -0.4213000     -0.3387000     -0.7886000    
 H   -2.396500      -1.957600      0.8973000    
 H   -2.186200     -0.2232000      0.9952000    
 H   -3.146700      -1.820700      -1.446800    
 H   -2.871400     -9.4999999E-02  -1.513100    
 H    1.886800      -3.599700      0.2249000    
 H    6.886800     -0.2635000      -1.042500    
 H    5.856400      -1.512100      -1.779300    
 H    6.399800      -1.679300     -8.2400002E-02
 H    2.574900       3.481300      0.7064000    
 H    3.781200       3.586900     -0.6027000    
 H    4.317800       3.421400       1.079100    
 H   -5.184000      -2.747900     -0.2803000    
 H   -7.490900      -1.474500      0.5522000    


%chk=000132022-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000132022

0 1
O 1.402095 1.673618 0.470616
O 5.919784 1.562773 -0.879977
O -5.966548 2.126266 1.455872
O -3.779508 1.828277 0.848713
N 1.664945 -1.428167 0.787325
N 4.916204 -0.485863 -0.327796
N 3.675220 1.585674 -0.202101
N -4.471293 -0.542473 -0.540256
N 3.633687 -2.502924 0.317588
N -6.616713 -0.312016 0.229023
N -5.032901 1.463249 0.876973
C 0.250138 -1.223184 1.165191
C -0.646775 -0.870966 -0.042593
C -2.137369 -0.857089 0.363945
C 2.579080 -0.443805 0.373225
C -3.018232 -0.358797 -0.802016
C 3.770793 -1.138066 0.099676
C 2.345099 -2.634173 0.731033
C 2.446857 0.985095 0.241990
C 4.903595 0.919778 -0.493925
C 6.151249 -1.245481 -0.605992
C -5.377364 0.224720 0.208148
C 3.697558 3.056313 -0.383366
C -5.204813 -1.629861 -1.004525
C -6.517208 -1.471735 -0.524281
H -0.094469 -2.157001 1.646825
H 0.200602 -0.408356 1.908185
H -0.479520 -1.609323 -0.852211
H -0.345314 0.124249 -0.417721
H -2.459626 -1.875152 0.661754
H -2.287113 -0.186942 1.230250
H -2.791031 -0.925568 -1.723534
H -2.823807 0.708719 -0.985634
H 1.880665 -3.579660 1.001642
H 6.916188 -0.526965 -0.933807
H 5.965016 -1.992857 -1.395068
H 6.485428 -1.770364 0.304463
H 2.697794 3.434310 -0.125197
H 3.948531 3.304067 -1.427557
H 4.462305 3.505314 0.270926
H -4.751582 -2.398573 -1.625861
H -7.376647 -2.118559 -0.680946


