%chk=000018238.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018238

0 1
 O   -1.166600      0.1884000       1.216400    
 O    1.362800     -9.0300001E-02   2.028300    
 O  -0.2124000       1.984800      0.1438000    
 N   -4.293600      0.6859000     -0.1510000    
 C   -2.409700      0.8751000       1.257900    
 C   -3.478800     -2.6000000E-03   1.904200    
 C   -2.897400       1.128000     -0.1675000    
 C   -4.325400     -0.4771000      0.7338000    
 C   -4.800700      0.3889000      -1.482100    
 C    1.139500     -2.3000001E-03  0.6062000    
 C  -0.1249000      0.8604000      0.6228000    
 C   -4.785700       1.626000      -2.364000    
 C   0.8926000      -1.401100      3.6699999E-02
 C    2.337200      0.6617000     -7.7600002E-02
 C    1.523100      -2.472800      0.6259000    
 C    2.115400       1.417100      -1.206000    
 C   4.9199998E-02  -1.533500      -1.042300    
 C    3.589000      0.4781000      0.4627000    
 C    1.540400       1.195700       2.587900    
 C    1.297900      -3.747800      0.1071000    
 C    3.206700       2.022500      -1.829100    
 C  -0.1761000      -2.808700      -1.561000    
 C    4.680200       1.083700     -0.1605000    
 C   0.4484000      -3.915800     -0.9862000    
 C    4.489000       1.855800      -1.306400    
 H   -2.296100       1.801400       1.834500    
 H   -3.064200     -0.8407000       2.472600    
 H   -4.096100      0.6050000       2.577600    
 H   -2.312200      0.5692000     -0.9065000    
 H   -2.835400       2.194700     -0.4080000    
 H   -5.342100     -0.7309000       1.049500    
 H   -3.866700      -1.358600      0.2681000    
 H   -4.229000     -0.4130000      -1.966200    
 H   -5.837800      4.1200001E-02  -1.402000    
 H   -5.286400       1.410100      -3.314000    
 H   -3.768200       1.952500      -2.600900    
 H   -5.317200       2.459400      -1.891900    
 H    2.195100      -2.363900       1.471000    
 H    1.145400       1.518000      -1.679200    
 H  -0.4273000     -0.6847000      -1.519900    
 H    3.766700     -0.1341000       1.340900    
 H    2.218100       1.086900       3.441600    
 H    1.956900       1.976300       1.945000    
 H   0.5902000       1.551200       3.002400    
 H    1.785900      -4.609600      0.5529000    
 H    3.060400       2.611300      -2.730000    
 H  -0.8333000      -2.939000      -2.415700    
 H    5.679600      0.9496000      0.2431000    
 H   0.2745000      -4.908400      -1.391200    
 H    5.339300       2.323400      -1.794200    


%chk=000018238-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000018238

0 1
O -1.238680 -0.001695 0.924064
O 1.746168 0.076698 2.219904
O -0.261912 2.090775 1.155716
N -4.339501 0.541277 -0.462979
C -2.588657 0.610633 1.199345
C -3.543330 -0.572359 1.452694
C -3.127848 1.316186 -0.075979
C -4.150000 -0.837911 0.060476
C -4.711966 0.628512 -1.888262
C 1.200836 0.094145 0.827081
C -0.153772 0.853961 0.951139
C -5.127197 2.052060 -2.303860
C 0.992758 -1.384881 0.451437
C 2.192069 0.768703 -0.138431
C 0.989490 -2.396240 1.439605
C 1.881817 1.886255 -0.949482
C 0.766395 -1.737474 -0.902011
C 3.495647 0.207842 -0.211802
C 2.237700 1.358995 2.753829
C 0.766917 -3.744262 1.076858
C 2.854816 2.426250 -1.824234
C 0.535241 -3.081836 -1.262600
C 4.467595 0.752548 -1.074117
C 0.534214 -4.092945 -0.272871
C 4.148659 1.865713 -1.889339
H -2.465828 1.297879 2.051807
H -3.005817 -1.436166 1.875654
H -4.335538 -0.258138 2.154415
H -2.337535 1.282035 -0.866099
H -3.371467 2.376067 0.109200
H -5.116241 -1.371050 0.100911
H -3.440570 -1.441767 -0.559382
H -3.873834 0.278897 -2.548703
H -5.561123 -0.061745 -2.055061
H -5.453096 2.066190 -3.359903
H -4.289216 2.765136 -2.201742
H -5.960244 2.407293 -1.672076
H 1.169555 -2.119152 2.481070
H 0.894554 2.352472 -0.892418
H 0.780736 -0.961603 -1.676231
H 3.734545 -0.659229 0.414189
H 2.595716 1.114269 3.766399
H 3.072042 1.754465 2.145097
H 1.432187 2.113762 2.801399
H 0.773511 -4.521336 1.849948
H 2.600005 3.290708 -2.447692
H 0.361990 -3.341794 -2.313154
H 5.468489 0.308643 -1.117097
H 0.359334 -5.138268 -0.552270
H 4.900591 2.288881 -2.564940


