%chk=000127132.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127132

0 1
 O  -0.8320000       1.082900      0.2736000    
 O    2.416100      -1.496500      0.5405000    
 O  -0.2565000      -2.533200      0.6908000    
 O   3.7700001E-02   1.129800      -1.933800    
 O   -3.427500      0.3367000      0.6591000    
 O    3.381500       2.872700      0.3217000    
 O    3.706400      -1.149700      -1.344000    
 O  -0.5438000      -2.292000      -1.588700    
 O   -1.820800       2.501500      -1.895400    
 O   -4.842500     -0.3366000       2.356600    
 N    2.002600       1.197400       1.163700    
 C    1.279700     -0.8405000     -1.6500000E-02
 C    1.543300      0.6662000     -0.1029000    
 C   2.8600000E-02  -1.141600      0.8108000    
 C   -1.155600     -0.3104000      0.3004000    
 C   0.2847000       1.410600     -0.5583000    
 C   -2.387600     -0.4654000       1.187800    
 C    2.884500       2.257900       1.261600    
 C    3.588100      -1.326300     -0.1390000    
 C  -0.5264000      -2.974300     -0.5731000    
 C   -1.054100       1.745800      -2.476900    
 C    3.175200       2.623900       2.692500    
 C    4.740300      -1.386600      0.8175000    
 C  -0.8049000      -4.446600     -0.5465000    
 C   -4.613800      0.3111000       1.344100    
 C   -1.188200       1.360700      -3.919100    
 C   -5.615200       1.202100      0.6736000    
 H    1.199500      -1.194400      -1.044700    
 H    2.330500      0.8646000     -0.8396000    
 H   0.2219000     -0.9417000       1.870800    
 H   -1.485200     -0.5556000     -0.7098000    
 H   0.4508000       2.491200     -0.4626000    
 H   -2.709500      -1.512400       1.221100    
 H   -2.161100     -0.1208000       2.204200    
 H    1.608900      0.8121000       2.017000    
 H    3.427200       1.729100       3.269000    
 H    2.297200       3.105500       3.131300    
 H    4.022200       3.314400       2.731100    
 H    5.674400      -1.233100      0.2697000    
 H    4.643600     -0.5967000       1.566500    
 H    4.773400      -2.368600       1.295700    
 H   -1.675000      -4.647400      8.3499998E-02
 H   7.2200000E-02  -4.982600     -0.1754000    
 H   -1.021900      -4.792900      -1.561000    
 H   -2.067800       1.851400      -4.345400    
 H  -0.3042000       1.686100      -4.473100    
 H   -1.318700      0.2788000      -4.002000    
 H   -6.556300       1.174200       1.230300    
 H   -5.246500       2.230800      0.6634000    
 H   -5.801300      0.8495000     -0.3438000    


%chk=000127132-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127132

0 1
O -1.177211 1.028640 0.360926
O 2.438582 -1.110079 0.452881
O -0.064061 -2.611710 0.652264
O -0.333994 1.125098 -1.903311
O -3.710584 -0.256216 0.733659
O 3.803758 1.639622 1.008133
O 3.488620 -0.815066 -1.612499
O -0.463865 -2.674317 -1.657757
O -1.623833 3.036349 -2.323157
O -3.796235 1.274729 2.504148
N 1.498055 1.504248 1.288479
C 1.196295 -0.567542 -0.137916
C 1.232245 0.990515 -0.062778
C 0.030017 -1.121799 0.694696
C -1.316569 -0.453895 0.291134
C -0.130647 1.547114 -0.508449
C -2.443024 -0.809840 1.258345
C 2.777258 1.807374 1.734547
C 3.567879 -1.106482 -0.401131
C -0.260175 -3.268893 -0.576954
C -1.143022 1.961056 -2.725146
C 2.862020 2.355356 3.154816
C 4.809723 -1.461508 0.372435
C -0.168645 -4.763953 -0.376537
C -4.246539 0.856529 1.417668
C -1.280422 1.337171 -4.091135
C -5.402126 1.431561 0.633745
H 1.124487 -0.863212 -1.198025
H 2.036596 1.344496 -0.730178
H 0.235980 -0.941099 1.765514
H -1.580353 -0.735342 -0.742144
H -0.207529 2.643566 -0.422954
H -2.573416 -1.902617 1.309061
H -2.252027 -0.394109 2.264542
H 0.693036 1.644218 1.904439
H 1.877654 2.513789 3.627497
H 3.408590 3.313432 3.136319
H 3.448077 1.657005 3.777356
H 5.580587 -1.853076 -0.307939
H 5.180868 -0.529925 0.839008
H 4.589915 -2.185019 1.173115
H -0.627281 -5.063204 0.579192
H 0.895442 -5.061277 -0.342572
H -0.651831 -5.281957 -1.217972
H -1.896836 1.979339 -4.735828
H -0.283097 1.196158 -4.542517
H -1.737800 0.336259 -4.004391
H -6.029183 2.050836 1.291697
H -5.001822 2.067563 -0.177074
H -5.999460 0.631216 0.169049


