%chk=000122348.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122348

0 1
 O   -4.891400       1.361300      -1.841800    
 O   -4.095800       1.895200       2.228600    
 O   -1.538400      -4.067500      -1.648200    
 O    5.576900       1.595700      -2.271900    
 O    4.339200      0.1168000      -1.076400    
 C   -2.977600      0.3196000     -0.7579000    
 C   -2.723400       1.437600      0.2778000    
 C   -4.504700      0.3291000     -0.9369000    
 C   -5.085800      0.5982000      0.4522000    
 C   -3.978600       1.373200       1.126600    
 C   -1.444900       1.325200       1.089400    
 C   -2.506000      -1.044900     -0.3498000    
 C   -1.619200      -1.768300      -1.048800    
 C  -0.1457000       1.436100      0.3361000    
 C   -1.150600      -3.135700     -0.6367000    
 C   0.3745000      -3.224900     -0.4891000    
 C   0.8946000      -2.587500      0.8026000    
 C   0.7953000       2.381100      0.4828000    
 C    2.422500      -2.604600      0.9158000    
 C    2.072900       2.411400     -0.3044000    
 C    2.942200      -2.032900       2.235500    
 C    3.335000       2.328900      0.5653000    
 C    4.642800       2.380000     -0.2304000    
 C    4.462200      -2.063300       2.292200    
 C    4.803800       1.240200      -1.212700    
 H   -2.492300      0.6092000      -1.699600    
 H   -2.752300       2.408800     -0.2354000    
 H   -4.885300     -0.6122000      -1.349200    
 H   -5.999800       1.196000      0.4221000    
 H   -5.237800     -0.3316000       1.007900    
 H   -1.461200       2.108400       1.860400    
 H   -1.430500      0.3873000       1.659300    
 H   -2.910900      -1.460500      0.5703000    
 H   -1.211800      -1.364700      -1.972800    
 H   -5.862100       1.350600      -1.898600    
 H   3.8500000E-02  0.6505000     -0.3929000    
 H   -1.627600      -3.460700      0.2954000    
 H   0.8631000      -2.765000      -1.358400    
 H   0.6764000      -4.280500     -0.5090000    
 H   0.4638000      -3.118000       1.660800    
 H   0.5508000      -1.549500      0.8693000    
 H   0.6399000       3.179400       1.203800    
 H    2.847500      -2.036000      7.9800002E-02
 H    2.776900      -3.637300      0.8079000    
 H    2.076900       1.601500      -1.043100    
 H    2.094900       3.348000     -0.8754000    
 H   -2.508700      -4.045700      -1.713200    
 H    2.596500     -0.9993000       2.352800    
 H    2.536700      -2.609000       3.075000    
 H    3.334000       3.155200       1.287200    
 H    3.306300       1.400700       1.150500    
 H    4.680900       3.326100     -0.7831000    
 H    5.497200       2.351900      0.4542000    
 H    4.838000      -3.087700       2.204700    
 H    4.896800      -1.466700       1.483800    
 H    4.813600      -1.652200       3.243700    
 H    5.698200      0.8529000      -2.901100    


%chk=000122348-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122348

0 1
O -4.715333 1.540851 -1.850242
O -4.145132 1.877331 2.322646
O -1.590217 -4.262816 -1.616336
O 5.864379 1.470947 -2.045682
O 4.260866 0.108144 -1.071955
C -2.975788 0.282930 -0.754390
C -2.732353 1.383356 0.334586
C -4.518825 0.364295 -0.979637
C -5.112697 0.598090 0.426218
C -4.014910 1.364541 1.186259
C -1.435427 1.304108 1.177786
C -2.546565 -1.102592 -0.318995
C -1.674993 -1.886163 -1.006622
C -0.175259 1.450475 0.352052
C -1.224511 -3.263952 -0.575751
C 0.303695 -3.380155 -0.423397
C 0.868798 -2.595060 0.780392
C 0.771203 2.408982 0.527028
C 2.412873 -2.629292 0.842391
C 2.051616 2.505867 -0.276189
C 2.983698 -1.896010 2.077369
C 3.317049 2.322134 0.605500
C 4.628852 2.407037 -0.201039
C 4.527470 -1.887553 2.105423
C 4.849200 1.211882 -1.110802
H -2.475010 0.543103 -1.702653
H -2.746550 2.358843 -0.197252
H -4.914735 -0.546776 -1.469256
H -6.066940 1.154029 0.434099
H -5.294782 -0.360237 0.952413
H -1.483942 2.085123 1.958963
H -1.416230 0.327734 1.704603
H -2.960709 -1.483227 0.630072
H -1.244995 -1.531031 -1.956430
H -5.684334 1.676005 -2.004397
H -0.020892 0.696467 -0.436247
H -1.716926 -3.530074 0.386636
H 0.779498 -3.033537 -1.362169
H 0.547130 -4.455712 -0.321599
H 0.453020 -3.011709 1.722295
H 0.537110 -1.538156 0.731464
H 0.630367 3.162656 1.319526
H 2.828893 -2.163011 -0.073686
H 2.759540 -3.684244 0.848464
H 2.046861 1.736749 -1.071050
H 2.111387 3.496663 -0.775473
H -2.549875 -4.143917 -1.836907
H 2.608201 -0.851619 2.078807
H 2.593002 -2.369479 3.001849
H 3.333688 3.099314 1.394130
H 3.260788 1.342118 1.114515
H 4.673027 3.324976 -0.816425
H 5.503469 2.454779 0.478677
H 4.929536 -2.918451 2.126756
H 4.924595 -1.388694 1.201936
H 4.916200 -1.355847 2.994198
H 6.008321 0.659689 -2.605476


