%chk=000018397.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018397

0 1
 O   0.6780000      -1.635900       1.646600    
 O    3.403000      -1.391200       1.727700    
 O    4.747000     -0.1082000     -0.3191000    
 O   -4.658100     -0.3761000       1.235700    
 O   -2.022200       3.410000       1.345800    
 N  -0.3089000       2.389200      0.1462000    
 N   -5.032400      -2.446100     -0.5765000    
 C   -1.108700       1.896900     -0.9568000    
 C  -0.3388000       1.944700      -2.295900    
 C   0.5303000      0.7386000      -2.675600    
 C   -1.737300      0.5620000     -0.5547000    
 C    1.295400      0.1526000      -1.518500    
 C   0.6061000     -0.5105000     -0.4819000    
 C  -0.8778000     -0.6307000     -0.5445000    
 C    1.323200      -1.023600      0.6098000    
 C    2.688900      0.2780000      -1.450100    
 C   -3.019900      0.5781000     -0.1470000    
 C   -1.321200      -1.893900     -0.6939000    
 C    2.710700     -0.8920000      0.6639000    
 C    3.391900     -0.2443000     -0.3644000    
 C   -3.852700     -0.5544000      0.3241000    
 C   -2.670400      -2.360200     -0.8880000    
 C  -0.8413000       3.104400       1.202200    
 C   -3.815300      -1.839900     -0.4247000    
 C   0.2035000       3.471500       2.221700    
 C   0.2684000     -0.8068000       2.730200    
 C    4.391500      -2.379800       1.449200    
 C    5.367000      0.5674000      -1.411400    
 H   -1.912300       2.637800      -1.079000    
 H   0.2937000       2.843100      -2.301800    
 H   -1.063300       2.085900      -3.109400    
 H    1.216700       1.038400      -3.477700    
 H  -9.4499998E-02 -4.6500001E-02  -3.121800    
 H   0.6827000       2.170000      0.1606000    
 H    3.167400      0.7999000      -2.272100    
 H   -3.548900       1.528500     -9.5200002E-02
 H  -0.6005000      -2.712200     -0.7354000    
 H   -2.722000      -3.311500      -1.417900    
 H  -0.2209000       4.167100       2.950900    
 H   0.5418000       2.569900       2.739700    
 H    1.055600       3.952500       1.732700    
 H  -0.4552000     -5.7300001E-02   2.396100    
 H    1.131200     -0.3136000       3.189000    
 H  -0.2106000      -1.439600       3.482300    
 H   -5.864300      -2.011300     -0.1974000    
 H   -5.100500      -3.329800      -1.065900    
 H    4.413600      -3.079700       2.289800    
 H    4.166000      -2.947000      0.5393000    
 H    5.377500      -1.913100       1.372800    
 H    6.443700      0.5796000      -1.212000    
 H    5.225800      2.7300000E-02  -2.353700    
 H    5.045200       1.612500      -1.475200    


%chk=000018397-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000018397

0 1
O 0.701589 -1.743613 1.582366
O 3.460440 -1.353673 1.676374
O 4.773827 -0.028595 -0.397798
O -5.498247 -0.135933 -0.978200
O -1.613635 4.069321 1.052050
N -0.315868 2.257313 0.359265
N -5.136288 -2.640057 -0.556148
C -1.172201 1.931668 -0.800808
C -0.436712 2.125363 -2.164206
C 0.360292 0.879894 -2.644538
C -1.824560 0.532300 -0.690111
C 1.187409 0.256108 -1.534300
C 0.524481 -0.440762 -0.478768
C -0.969835 -0.618181 -0.496003
C 1.329175 -0.993616 0.568585
C 2.593168 0.401982 -1.528565
C -3.222143 0.550867 -0.814923
C -1.426693 -1.945521 -0.340525
C 2.743325 -0.846629 0.576829
C 3.377130 -0.135927 -0.483186
C -4.254714 -0.459947 -0.799247
C -2.721630 -2.514093 -0.354085
C -0.612913 3.306062 1.218478
C -3.976938 -1.911234 -0.556825
C 0.356496 3.482448 2.385875
C 0.768094 -1.174461 2.947720
C 4.429729 -2.430759 1.373361
C 5.457662 0.734596 -1.446905
H -1.971455 2.691060 -0.746507
H 0.233889 2.999182 -2.060431
H -1.188975 2.378433 -2.935776
H 1.008262 1.171478 -3.491393
H -0.358620 0.131695 -3.029590
H 0.504956 1.676390 0.536350
H 3.065268 0.946524 -2.351776
H -3.673892 1.543458 -0.951235
H -0.629885 -2.680421 -0.180282
H -2.743053 -3.602968 -0.197936
H 0.782809 4.499782 2.350739
H -0.205307 3.397821 3.332320
H 1.180838 2.747783 2.389650
H 0.226964 -0.208721 2.981857
H 1.817945 -1.048564 3.261441
H 0.257530 -1.907290 3.590620
H -5.987877 -2.085508 -0.721725
H -5.161443 -3.643879 -0.397798
H 4.867115 -2.705428 2.345226
H 3.906789 -3.301334 0.934500
H 5.213557 -2.064033 0.689403
H 6.521670 0.710734 -1.169995
H 5.318479 0.267377 -2.440850
H 5.101799 1.782207 -1.473778


