%chk=000019674.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019674

0 1
 O   -1.039700     -0.5451000     -0.5045000    
 O   -1.392300       1.509100       1.485400    
 O    3.910100       1.294000      -2.039600    
 N   -4.687300     -0.7392000      3.1599998E-02
 C   -5.082100      0.4137000     -0.7898000    
 C   -5.639500      -1.848800     -0.1176000    
 C   -6.475600      0.9134000     -0.4056000    
 C   -7.051300      -1.422900      0.2889000    
 C   -7.510500     -0.2019000     -0.4998000    
 C   -3.335000      -1.175400     -0.3155000    
 C   -2.328800     -5.1800001E-02 -0.1147000    
 C   -2.287300      0.4020000       1.338500    
 C  -2.7400000E-02  0.2907000     -0.1125000    
 C  -0.2012000       1.293300      0.8439000    
 C    1.220600      9.9399999E-02 -0.7058000    
 C   0.8615000       2.134100       1.175700    
 C    2.286500      0.9318000     -0.3634000    
 C    2.105700       1.951100      0.5720000    
 C    3.586800      0.7394000     -0.9857000    
 C    4.589900     -0.1643000     -0.3671000    
 C    4.271300     -0.8063000      0.8119000    
 C    5.808700     -0.3340000     -0.9910000    
 C    5.213300      -1.655300       1.392900    
 C    6.750600      -1.183200     -0.4100000    
 C    6.452800      -1.843700      0.7819000    
 H   -5.059200      0.1632000      -1.858500    
 H   -4.428100       1.275700     -0.6359000    
 H   -5.338100      -2.685600      0.5242000    
 H   -5.650500      -2.218100      -1.151600    
 H   -6.766600       1.742100      -1.061200    
 H   -6.456100       1.307500      0.6187000    
 H   -7.071100      -1.193500       1.361900    
 H   -7.749300      -2.251900      0.1264000    
 H   -3.041600      -2.030800      0.3081000    
 H   -3.282900      -1.532000      -1.353500    
 H   -8.477200      0.1485000     -0.1221000    
 H   -7.655700     -0.4787000      -1.551300    
 H   -2.518400      0.7934000     -0.7857000    
 H   -3.265500      0.7450000       1.688500    
 H   -1.953200     -0.4019000       2.007300    
 H    1.356200     -0.6904000      -1.441100    
 H   0.7317000       2.924700       1.909700    
 H    2.929600       2.607100      0.8416000    
 H    3.321400     -0.6904000       1.322000    
 H    6.065500      0.1680000      -1.918700    
 H    4.982100      -2.170000       2.321000    
 H    7.716000      -1.330300     -0.8855000    
 H    7.186200      -2.504800       1.234200    


%chk=000019674-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000019674

0 1
O -1.331159 -0.906188 -0.585092
O -1.320272 0.715519 1.847266
O 3.461182 -0.679987 -2.238913
N -5.036046 -0.482381 -0.221238
C -5.407204 0.558140 -1.220001
C -6.135670 -1.468855 -0.040158
C -6.676356 1.317223 -0.784983
C -7.428594 -0.772474 0.431471
C -7.848904 0.336427 -0.560172
C -3.737118 -1.125615 -0.530111
C -2.562188 -0.254533 -0.061021
C -2.467350 -0.144678 1.462923
C -0.140743 -0.368170 -0.048248
C -0.143839 0.437363 1.130811
C 1.066897 -0.635221 -0.708320
C 1.064149 0.991835 1.603759
C 2.291540 -0.115886 -0.214060
C 2.274993 0.716673 0.941886
C 3.536885 -0.395217 -0.999757
C 4.887322 -0.347369 -0.334060
C 5.085025 -0.705586 1.027022
C 6.014908 -0.016019 -1.132715
C 6.385289 -0.718693 1.578486
C 7.309631 -0.012214 -0.576887
C 7.498481 -0.363001 0.782333
H -5.581843 0.092053 -2.225690
H -4.566283 1.266593 -1.332418
H -5.811898 -2.216085 0.708254
H -6.344808 -2.019353 -0.994978
H -6.935995 2.067300 -1.556225
H -6.463091 1.861972 0.154968
H -7.248721 -0.327102 1.429227
H -8.231504 -1.526613 0.540057
H -3.682473 -2.098230 -0.005881
H -3.601080 -1.335186 -1.618124
H -8.738918 0.874825 -0.184038
H -8.134800 -0.124287 -1.528604
H -2.617879 0.764221 -0.494482
H -3.363755 0.340066 1.875300
H -2.329165 -1.146949 1.914148
H 1.066735 -1.235869 -1.622950
H 1.030463 1.629460 2.492361
H 3.201423 1.171363 1.303954
H 4.230198 -1.006624 1.641354
H 5.850133 0.226179 -2.187876
H 6.530475 -1.011294 2.624309
H 8.171041 0.256858 -1.198037
H 8.505882 -0.367493 1.213750


