%chk=000040574.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040574

0 1
 O   -2.145900       1.961500     -0.3001000    
 O    3.528500     -0.8187000     -0.3805000    
 O    3.197400     -0.8285000       1.881700    
 N    1.467200     -0.2025000      0.4546000    
 C   -1.242300      0.8692000     -6.1200000E-02
 C  -0.1375000      0.8918000      -1.158400    
 C  -0.4904000       1.148100       1.273100    
 C   0.5240000       2.288900      -1.246500    
 C   0.1768000       2.544200       1.258500    
 C   0.9233000     -0.2011000     -0.9097000    
 C   0.5351000      3.6499999E-02   1.558000    
 C    1.108000       2.783300      7.3500000E-02
 C   -2.147000     -0.3705000     -2.7500000E-02
 C    2.770100     -0.6327000      0.7452000    
 C   -3.194900     -0.4398000      0.8879000    
 C   -1.917400      -1.421500     -0.9125000    
 C   -2.841600       1.801400      -1.528200    
 C   -4.017200      -1.566000      0.9186000    
 C   -2.739900      -2.547700     -0.8818000    
 C   -3.789800      -2.619900      3.3799998E-02
 C    4.873700      -1.262100     -0.1688000    
 C    5.559700      -1.413800      -1.509800    
 H  -0.5472000      0.6923000      -2.155000    
 H   -1.205200       1.166400       2.106100    
 H  -0.2124000       3.022000      -1.597100    
 H    1.314800       2.279400      -2.006800    
 H   0.7310000       2.702700       2.191700    
 H  -0.6089000       3.310500       1.243700    
 H    1.741400     -5.0400000E-02  -1.624000    
 H   0.5972000      -1.224700      -1.085900    
 H   2.2800000E-02 -0.9151000       1.744000    
 H    1.095100      0.2696000       2.470900    
 H    1.332200       3.853900     -4.4000000E-03
 H    2.072700       2.297800      0.2568000    
 H   -3.391100      0.3732000       1.581300    
 H   -1.205100      -1.389200      -1.723700    
 H   -3.512500       2.664100      -1.611900    
 H   -3.491000      0.9243000      -1.575600    
 H   -2.192500       1.854200      -2.404300    
 H   -4.836300      -1.621200       1.629600    
 H   -2.580700      -3.357300      -1.588200    
 H   -4.434200      -3.493800      5.3199999E-02
 H    5.409200     -0.5248000      0.4394000    
 H    4.862400      -2.225900      0.3521000    
 H    6.592100      -1.752100      -1.385100    
 H    5.024400      -2.134500      -2.136800    
 H    5.562100     -0.4619000      -2.051100    


%chk=000040574-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040574

0 1
O -2.107298 2.004726 -0.294521
O 3.565246 -0.791910 -0.352998
O 3.259774 -0.535080 1.964894
N 1.469645 -0.273781 0.464895
C -1.207855 0.817675 -0.118690
C -0.089136 0.790912 -1.210915
C -0.480448 1.104955 1.231878
C 0.574275 2.192434 -1.322018
C 0.205893 2.499346 1.200100
C 0.946100 -0.335199 -0.916295
C 0.492784 -0.056326 1.554104
C 1.182757 2.693653 0.012162
C -2.109337 -0.435404 -0.070156
C 2.781636 -0.532895 0.795223
C -3.011759 -0.594261 1.016394
C -2.171797 -1.385750 -1.121449
C -2.927433 2.008678 -1.507229
C -3.915035 -1.676363 1.068193
C -3.076223 -2.471630 -1.077805
C -3.947858 -2.627957 0.021704
C 5.002121 -1.062361 -0.072629
C 5.658396 -1.370418 -1.415537
H -0.528872 0.550029 -2.200347
H -1.231641 1.123357 2.043856
H -0.192965 2.915063 -1.658070
H 1.355206 2.158971 -2.107584
H 0.742402 2.654171 2.157015
H -0.591328 3.261287 1.140931
H 1.795602 -0.246026 -1.610435
H 0.483246 -1.328757 -1.081612
H -0.084002 -0.989091 1.725624
H 1.063230 0.159253 2.472406
H 1.431372 3.768742 -0.082530
H 2.133268 2.169860 0.213125
H -3.025381 0.150836 1.818480
H -1.522389 -1.282953 -1.996585
H -3.528440 2.930293 -1.447288
H -3.602334 1.131649 -1.552788
H -2.311475 2.039044 -2.429964
H -4.597809 -1.774240 1.919878
H -3.099610 -3.191617 -1.903761
H -4.647418 -3.470340 0.060005
H 5.441785 -0.173954 0.416386
H 5.071122 -1.909140 0.633955
H 6.732288 -1.585842 -1.265774
H 5.190412 -2.250443 -1.889700
H 5.569480 -0.513596 -2.105726


