%chk=000049078.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049078

0 1
 O   -1.111200      -1.238000      0.3350000    
 O   -1.848300      -1.683900      -1.790300    
 N    2.194000     -0.2195000      0.6289000    
 C    2.634100       1.176600      0.8516000    
 C    4.674500      0.7579000     -0.6154000    
 C    3.475300       1.670600     -0.3439000    
 C    4.190900     -0.6832000     -0.7761000    
 C    3.346300      -1.113500      0.4217000    
 C    1.379400     -0.7348000       1.733300    
 C    1.457300       2.144900       1.039800    
 C    5.446700       1.218000      -1.849100    
 C   0.8459000      -2.123100       1.394800    
 C  -2.4000001E-03  -2.102700      0.1305000    
 C   -1.983300      -1.105400     -0.7171000    
 C   -3.078500     -0.1922000     -0.3869000    
 C   -4.064300      6.9499999E-02  -1.331400    
 C   -3.122300      0.4040000      0.8682000    
 C   -5.108200      0.9395000      -1.016800    
 C   -4.166500       1.273900       1.182800    
 C   -5.159300       1.541600      0.2403000    
 H    3.258100       1.225400       1.754900    
 H    5.352300      0.8063000      0.2472000    
 H    3.835300       2.688300     -0.1457000    
 H    2.843500       1.729300      -1.241000    
 H    5.050800      -1.356500     -0.8768000    
 H    3.599300     -0.7832000      -1.695900    
 H    3.041800      -2.136300      0.1872000    
 H    3.975400      -1.155400       1.320700    
 H    1.958200     -0.7796000       2.664800    
 H   0.5180000     -8.8799998E-02   1.928900    
 H   0.7189000       2.037100      0.2373000    
 H   0.9519000       1.992300       1.998300    
 H    1.805500       3.184100       1.034200    
 H    6.315000      0.5745000      -2.025200    
 H    4.818800       1.192000      -2.746100    
 H    5.809300       2.243100      -1.719500    
 H    1.621400      -2.891600       1.340000    
 H   0.2014000      -2.426800       2.231300    
 H  -0.3750000      -3.116400     -5.9200000E-02
 H   0.5750000      -1.780600     -0.7430000    
 H   -4.041600     -0.3901000      -2.315700    
 H   -2.371300      0.2257000       1.632100    
 H   -5.881400       1.148100      -1.750400    
 H   -4.206700       1.743400       2.161500    
 H   -5.972100       2.219000      0.4853000    


%chk=000049078-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049078

0 1
O -1.174359 -1.222915 0.347947
O -1.970867 -1.557365 -1.816444
N 2.368938 -0.356195 0.678264
C 2.591444 1.124361 0.759954
C 4.774790 0.836235 -0.596470
C 3.427246 1.582417 -0.462190
C 4.501894 -0.684664 -0.596743
C 3.661185 -1.091602 0.625845
C 1.472180 -0.912886 1.723778
C 1.266440 1.916834 0.801743
C 5.555754 1.285696 -1.848821
C 0.815589 -2.248840 1.298752
C -0.021275 -2.121226 0.027584
C -2.083944 -1.011366 -0.689388
C -3.182787 -0.077879 -0.299310
C -4.188470 0.200950 -1.260978
C -3.242102 0.529338 0.981996
C -5.245095 1.078878 -0.944141
C -4.301139 1.408034 1.294640
C -5.303435 1.684220 0.334231
H 3.181622 1.368142 1.685814
H 5.386644 1.070476 0.302995
H 3.607640 2.672637 -0.379384
H 2.822960 1.413190 -1.376980
H 5.456253 -1.248014 -0.593310
H 3.954070 -0.958581 -1.520317
H 3.449344 -2.175284 0.584944
H 4.257881 -0.910434 1.560230
H 2.010686 -1.064375 2.693856
H 0.659190 -0.194926 1.911796
H 0.580816 1.556980 0.012858
H 0.746900 1.847438 1.773349
H 1.472508 2.987235 0.619648
H 6.525037 0.758169 -1.928740
H 4.977150 1.070564 -2.767778
H 5.761571 2.372491 -1.826873
H 1.583696 -3.026130 1.119172
H 0.180551 -2.615203 2.128319
H -0.423371 -3.091015 -0.316321
H 0.561620 -1.655148 -0.785686
H -4.119625 -0.278975 -2.242861
H -2.461386 0.305642 1.714468
H -6.020199 1.292409 -1.688101
H -4.347071 1.877171 2.283545
H -6.124576 2.367018 0.580205


