%chk=000146668.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146668

0 1
 O   -2.678700      0.5780000       1.486200    
 O   -2.807500       2.264400     -0.1768000    
 O   -1.161600      -3.886600      -1.287300    
 O   -3.082900      -3.996900      0.1621000    
 O    4.172700       1.306000      -2.225600    
 O    3.828300     -0.4901000       2.200700    
 O    5.383300      0.2561000      3.3100002E-02
 C  -0.2473000      0.8752000     -0.1532000    
 C  -0.6955000       1.875600      0.9282000    
 C   -2.220500       1.871700       1.066100    
 C   -1.036800     -0.4175000     -4.4500001E-02
 C   -2.193800     -0.4846000      0.7663000    
 C    1.264700      0.7086000     -0.1033000    
 C   -2.647000       2.868600       2.145300    
 C  -0.6583000      -1.550300     -0.7891000    
 C   -2.920100      -1.675300      0.8950000    
 C   -1.401100      -2.706000     -0.6538000    
 C    1.863200      0.1797000       1.035700    
 C    2.036700       1.086000      -1.197100    
 C   -2.497100      -2.768800      0.1711000    
 C   -4.224100       2.275700     -9.7300000E-02
 C    3.422500      0.9327000      -1.151600    
 C    3.248900      2.6500000E-02   1.081200    
 C   -4.789300       2.679100      -1.450600    
 C    4.028600      0.4029000     -1.2500000E-02
 C   -2.228000      -4.702200     -0.7606000    
 C   -6.306600       2.727500      -1.437200    
 C    4.418200      0.3145000      -3.220900    
 C    3.992500      -1.905900       2.251000    
 C    6.136600       1.355400      0.5396000    
 H  -0.5193000       1.304400      -1.128600    
 H  -0.3326000       2.876800      0.6610000    
 H  -0.2580000       1.618900       1.901600    
 H   -2.034600       2.745500       3.046700    
 H   -3.676500       2.704900       2.482700    
 H   -2.551400       3.904200       1.802400    
 H   0.1997000      -1.530500      -1.453100    
 H   -3.797100      -1.732200       1.531300    
 H    1.267100     -0.1267000       1.891400    
 H    1.571600       1.500400      -2.087900    
 H   -4.610200       1.287200      0.1743000    
 H   -4.578400       3.012600      0.6290000    
 H   -4.446300       1.973300      -2.216600    
 H   -4.388300       3.657600      -1.741200    
 H   -1.789100      -5.563700     -0.2444000    
 H   -2.837400      -5.065300      -1.596100    
 H   -6.728300       1.749300      -1.185300    
 H   -6.685200       3.016500      -2.422600    
 H   -6.670300       3.457400     -0.7068000    
 H    5.033200      0.7624000      -4.006300    
 H    4.960300     -0.5349000      -2.793400    
 H    3.476600     -2.5000000E-02  -3.664200    
 H    3.020100      -2.406400       2.203000    
 H    4.632700      -2.249100       1.432300    
 H    4.471200      -2.161800       3.200200    
 H    5.985700       2.244500     -8.0700003E-02
 H    5.857500       1.569100       1.576200    
 H    7.196000       1.086100      0.5117000    


%chk=000146668-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000146668

0 1
O -2.901448 0.651993 1.631343
O -2.790004 2.332880 -0.097219
O -1.337672 -4.220615 -0.625339
O -3.314510 -4.149568 0.731022
O 3.821694 1.754848 -2.348676
O 3.870103 -0.875296 1.853596
O 5.340781 0.368399 -0.291719
C -0.438510 0.768403 -0.041951
C -0.781391 1.803776 1.063729
C -2.300990 1.957271 1.223877
C -1.223209 -0.524536 0.202305
C -2.405613 -0.509914 0.992452
C 1.076377 0.586538 -0.135816
C -2.722428 2.924952 2.331543
C -0.814097 -1.751088 -0.399917
C -3.184926 -1.677572 1.225091
C -1.584675 -2.888832 -0.177843
C 1.793808 -0.114023 0.866573
C 1.790218 1.155973 -1.213799
C -2.745981 -2.852854 0.622590
C -4.250927 2.527899 -0.230818
C 3.201454 1.072420 -1.286001
C 3.196006 -0.216302 0.797863
C -4.565106 2.555215 -1.730356
C 3.923116 0.406519 -0.257887
C -2.567575 -4.966704 -0.264176
C -6.066200 2.804151 -1.996979
C 4.819720 1.005640 -3.143664
C 4.650297 -2.068075 1.449277
C 5.974107 1.209945 0.754416
H -0.794075 1.200377 -0.998374
H -0.344633 2.783419 0.804408
H -0.357561 1.483792 2.033170
H -2.234850 2.647123 3.280777
H -3.813377 2.890069 2.489074
H -2.427969 3.954284 2.064802
H 0.094484 -1.790460 -1.006472
H -4.080031 -1.628127 1.848003
H 1.277267 -0.604826 1.697657
H 1.268720 1.688436 -2.016297
H -4.782706 1.697141 0.273771
H -4.547605 3.485864 0.245378
H -4.250306 1.593798 -2.177305
H -3.955952 3.346039 -2.207781
H -2.285115 -5.923391 0.200267
H -3.197099 -5.091103 -1.167084
H -6.691458 2.012318 -1.543202
H -6.275908 2.817621 -3.081322
H -6.394171 3.774660 -1.578933
H 5.178304 1.722783 -3.897825
H 5.649055 0.656828 -2.507061
H 4.336268 0.144761 -3.645010
H 3.971806 -2.847855 1.054060
H 5.407767 -1.803929 0.690096
H 5.134180 -2.425819 2.370967
H 5.703036 2.271039 0.602380
H 5.659144 0.875375 1.759134
H 7.059063 1.073840 0.626005


