%chk=000092929.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000092929

0 1
 O    6.697200     -0.3642000      -2.118800    
 O    4.075600       2.265700       1.289800    
 O    4.547900     -0.1211000      -2.805500    
 O    4.213000      -4.444000       1.004600    
 O    5.707600      -3.223500       2.198200    
 O   -4.895600     -0.5804000       2.252000    
 N   -2.197600       3.008500      0.4226000    
 N    3.732000      0.6909000     -0.3777000    
 N   -3.900300      0.7808000      0.1810000    
 N   -3.681200     -0.5533000      -2.279900    
 N   -4.596200      -2.512800      -1.234900    
 N   -5.211700      -2.524300       1.066300    
 N   -5.465700      -4.417200     -0.2945000    
 C    5.094500      0.2288000     -0.4582000    
 C    5.388500     -0.9203000      0.5138000    
 C  -0.8263000       2.679500      0.4431000    
 C   -2.979200       2.822000     -0.7839000    
 C    4.588300      -2.209300      0.2864000    
 C    1.886500       2.031000      0.4825000    
 C    3.331400       1.685900      0.5032000    
 C  -7.9400003E-02   2.875100       1.604800    
 C  -0.2170000       2.159700     -0.6988000    
 C   -3.411000       1.387900     -0.9158000    
 C    1.277100       2.550900       1.624400    
 C    1.139500       1.835500     -0.6791000    
 C    5.379600     -0.1083000      -1.907300    
 C   -2.840200       3.550600       1.603300    
 C    4.905800      -3.307400       1.278300    
 C   -3.303500      0.7335000      -2.123200    
 C   -4.274400     -0.5038000      1.3600000E-02
 C   -4.174800      -1.180700      -1.191000    
 C   -4.817400      -1.204700       1.198400    
 C   -5.093000      -3.111000     -9.7700000E-02
 H    5.742200       1.077000     -0.2021000    
 H    6.457900      -1.164300      0.4656000    
 H    5.205400     -0.5732000       1.539400    
 H   -3.895500       3.425900     -0.7396000    
 H   -2.461000       3.193300      -1.676200    
 H    4.798500      -2.598300     -0.7160000    
 H    3.516400      -1.996400      0.3637000    
 H    3.045600      0.1992000     -0.9406000    
 H  -0.5069000       3.276600       2.518200    
 H  -0.7339000       1.995300      -1.636400    
 H    1.841700       2.706200       2.540000    
 H    1.582700       1.464200      -1.598600    
 H   -3.907600       3.733300       1.434300    
 H   -2.398100       4.511800       1.888100    
 H   -2.776700       2.852600       2.445700    
 H   -2.913000       1.213200      -3.013100    
 H   -4.522800      -3.006200      -2.115700    
 H    6.883500     -0.5664000      -3.060500    
 H    4.429200      -5.164200       1.634500    
 H   -5.369700      -4.864100      -1.199800    
 H   -5.847600      -4.973600      0.4625000    


%chk=000092929-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000092929

0 1
O 7.818617 0.842755 -1.485656
O 4.162571 1.469524 1.967337
O 5.793205 1.025588 -2.604480
O 5.481819 -4.218650 -0.371795
O 6.543911 -3.316784 1.485269
O -7.498467 0.945530 0.837223
N -2.034243 2.420879 0.234679
N 4.368445 0.955793 -0.280057
N -4.870226 0.970884 -0.350637
N -3.814126 -1.546874 -1.172078
N -5.816093 -2.579856 -0.477570
N -7.657674 -1.367370 0.506701
N -7.802541 -3.673524 0.193335
C 5.813216 0.749457 -0.145953
C 6.185041 -0.616303 0.510660
C -0.671521 2.126474 0.339791
C -2.821185 2.164618 -0.988220
C 5.652154 -1.821051 -0.282722
C 2.153234 1.583420 0.602651
C 3.610294 1.338014 0.823058
C 0.034511 2.400513 1.558324
C 0.083864 1.553862 -0.736297
C -3.620353 0.869754 -0.896285
C 1.404415 2.132244 1.676505
C 1.458293 1.297714 -0.602816
C 6.429187 0.892823 -1.531905
C -2.785500 2.914190 1.404475
C 5.956587 -3.140575 0.396598
C -3.101916 -0.395391 -1.298391
C -5.600461 -0.168746 -0.197125
C -5.055507 -1.420292 -0.621925
C -6.982063 -0.123700 0.421261
C -7.098774 -2.495987 0.083881
H 6.230754 1.537135 0.512720
H 7.282717 -0.672786 0.611206
H 5.760615 -0.609504 1.528419
H -3.544239 2.989107 -1.118805
H -2.161070 2.162256 -1.869566
H 6.073892 -1.867333 -1.306144
H 4.554790 -1.748834 -0.410939
H 4.000196 1.000946 -1.233642
H -0.492443 2.832980 2.412383
H -0.394502 1.301423 -1.686882
H 1.935156 2.343272 2.611012
H 1.972454 0.842445 -1.458370
H -3.854518 2.971549 1.147660
H -2.437340 3.919731 1.712132
H -2.688044 2.230827 2.269858
H -2.098945 -0.489611 -1.725618
H -5.391618 -3.457002 -0.792630
H 8.189273 0.938047 -2.404650
H 5.691919 -5.069741 0.100711
H -7.445981 -4.576900 -0.107346
H -8.731479 -3.605045 0.604058


