%chk=000025696.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025696

0 1
 O   0.2605000      0.6431000     -0.2531000    
 O  -0.6874000      -1.015200       1.043200    
 O   -3.066100     -0.6089000     -0.1340000    
 N    4.826400       2.231500     -0.5259000    
 C    1.534300      0.4034000      0.3784000    
 C    2.544900       1.363000     -0.3113000    
 C    1.351500      0.7761000       1.874200    
 C    1.916700      -1.051600      9.8999999E-02
 C    3.986800       1.280100      0.1969000    
 C   0.9701000       2.235400       2.119000    
 C    2.078300      -1.945800       1.157400    
 C    2.103100      -1.484100      -1.214000    
 C  -0.7582000     -0.1460000      0.1850000    
 C    6.033500       2.537700      0.2422000    
 C    5.181400       1.704500      -1.843900    
 C    2.426800      -3.272200      0.9028000    
 C    2.451400      -2.810600      -1.468500    
 C    2.613200      -3.704700     -0.4100000    
 C   -2.009400      0.2248000     -0.5667000    
 C   -4.336500     -8.8600002E-02 -0.1894000    
 C   -4.660800      0.8587000      -1.160600    
 C   -5.302200     -0.5075000      0.7261000    
 C   -5.950500       1.387300      -1.216300    
 C   -6.591800      2.1100000E-02  0.6702000    
 C   -6.915800      0.9685000     -0.3009000    
 H    2.185700       2.397400     -0.2252000    
 H    2.509900       1.190300      -1.393100    
 H    2.287300      0.5922000       2.417800    
 H   0.6046000      0.1717000       2.394500    
 H    3.978700       1.542800       1.261300    
 H    4.386100      0.2611000      0.1292000    
 H   7.9200000E-02   2.523300       1.553400    
 H   0.7494000       2.383700       3.181800    
 H    1.785600       2.919000       1.867500    
 H    1.947900      -1.658300       2.194800    
 H    1.962900     -0.8164000      -2.058700    
 H    6.639100       1.644200      0.4331000    
 H    6.653800       3.267900     -0.2895000    
 H    5.774900       2.993300       1.204700    
 H    5.821500       2.417600      -2.376800    
 H    5.720800      0.7522000      -1.779000    
 H    4.303000       1.561500      -2.480000    
 H    2.553300      -3.968800       1.726500    
 H    2.591800      -3.148900      -2.490900    
 H    2.883300      -4.737800     -0.6083000    
 H   -2.203900       1.281400     -0.3441000    
 H   -1.836900      6.7000002E-02  -1.636300    
 H   -3.945000       1.191200      -1.906600    
 H   -5.055100      -1.244900       1.484900    
 H   -6.205000       2.120600      -1.976000    
 H   -7.343700     -0.3050000       1.382700    
 H   -7.920400       1.379000     -0.3451000    


%chk=000025696-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000025696

0 1
O 0.250345 0.682962 0.187162
O -0.827734 -0.920110 1.534974
O -3.261777 -0.065720 0.522943
N 4.790034 2.247088 -0.684997
C 1.664522 0.357821 0.693593
C 2.506178 1.359290 -0.142676
C 1.731528 0.635311 2.217492
C 1.986815 -1.095360 0.301429
C 4.011763 1.341801 0.197104
C 1.289734 2.053528 2.633622
C 2.584917 -2.014498 1.197553
C 1.714657 -1.524948 -1.024971
C -0.847379 -0.036955 0.660499
C 6.101370 2.595849 -0.098670
C 4.939086 1.733540 -2.063157
C 2.904793 -3.326615 0.780852
C 2.027104 -2.835153 -1.441969
C 2.628762 -3.743349 -0.539888
C -2.067490 0.456684 -0.119484
C -4.497972 0.238276 -0.079029
C -4.654448 1.038997 -1.237738
C -5.627992 -0.322589 0.566011
C -5.955843 1.271611 -1.743244
C -6.915252 -0.080466 0.049387
C -7.088602 0.718166 -1.108936
H 2.118220 2.381195 0.007849
H 2.356581 1.114651 -1.209074
H 2.776439 0.471842 2.544898
H 1.110392 -0.113228 2.738354
H 4.152386 1.699902 1.234603
H 4.398848 0.290986 0.158402
H 0.261868 2.268573 2.292738
H 1.304456 2.143591 3.734554
H 1.952136 2.837440 2.224454
H 2.792195 -1.723036 2.231322
H 1.239851 -0.831959 -1.729538
H 6.784307 1.716191 0.022751
H 6.610950 3.333165 -0.744817
H 5.955975 3.056812 0.894583
H 5.479236 2.477753 -2.675102
H 5.503261 0.766888 -2.110505
H 3.951307 1.573738 -2.526952
H 3.362355 -4.024237 1.491321
H 1.800248 -3.149809 -2.466967
H 2.872442 -4.762123 -0.861160
H -2.060590 1.564781 -0.136346
H -1.983329 0.096015 -1.166554
H -3.792552 1.482172 -1.745898
H -5.470348 -0.937538 1.457213
H -6.077133 1.891361 -2.638954
H -7.786234 -0.516773 0.550895
H -8.091385 0.903785 -1.507531


