%chk=000114416.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114416

0 1
 O   0.1894000      -2.127300     -0.5410000    
 O    1.259000      -1.890800       1.488900    
 C   -2.605600      -1.230000     -0.5500000    
 C   -3.696900     -0.2933000      1.8300001E-02
 C   -1.936400      -2.060600      0.5611000    
 C   -3.223200      0.7161000       1.074300    
 C   -3.234000      -2.129400      -1.622000    
 C  -0.7991000      -2.949000      6.8000004E-02
 C   -2.122200       1.608200      0.5727000    
 C    3.344400     -0.3450000      0.3145000    
 C    4.324800      0.4935000     -0.5115000    
 C    2.155800     -0.8366000     -0.5115000    
 C    1.172200      -1.659300      0.2909000    
 C    5.518000      0.9413000      0.3330000    
 C   -2.221600       2.843000      4.4500001E-02
 C    6.517500       1.736300     -0.4920000    
 C   -1.073100       3.682100     -0.4388000    
 C   -3.569100       3.500500     -9.9500000E-02
 H   -1.847200     -0.6127000      -1.046800    
 H   -4.157900      0.2600000     -0.8108000    
 H   -4.496400     -0.9005000      0.4627000    
 H   -2.687000      -2.686500       1.058700    
 H   -1.526100      -1.388800       1.321800    
 H   -2.870100      0.1966000       1.972300    
 H   -4.082200       1.300100       1.421200    
 H   -3.939500      -2.841100      -1.180100    
 H   -3.777400      -1.530800      -2.361400    
 H   -2.473000      -2.693900      -2.168600    
 H  -0.3831000      -3.539000      0.8936000    
 H   -1.145100      -3.671700     -0.6765000    
 H   -1.123200       1.180400      0.6504000    
 H    2.979400      0.2489000       1.161900    
 H    3.869200      -1.208400      0.7428000    
 H    4.679200     -9.6400000E-02  -1.365500    
 H    3.807400       1.371500     -0.9166000    
 H    1.615600      2.2800000E-02 -0.9249000    
 H    2.520900      -1.456100      -1.338500    
 H    5.170700       1.556600       1.171100    
 H    6.022300      6.6399999E-02  0.7597000    
 H    6.909800       1.135700      -1.318800    
 H    6.053700       2.635500     -0.9100000    
 H    7.361200       2.047700      0.1318000    
 H   -1.180800       3.901100      -1.505900    
 H  -0.1152000       3.170700     -0.2974000    
 H   -1.032500       4.627300      0.1119000    
 H   -3.674700       4.303100      0.6378000    
 H   -3.662300       3.942800      -1.098000    
 H   -4.417400       2.821600      9.3000000E-03


%chk=000114416-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000114416

0 1
O 0.110036 -2.409100 -0.602411
O 0.973314 -1.845829 1.491672
C -2.696379 -1.311514 -0.569652
C -3.680430 -0.265146 0.019319
C -2.120130 -2.242835 0.529569
C -3.094322 0.680490 1.113970
C -3.390612 -2.114756 -1.695694
C -0.994261 -3.176512 0.057994
C -1.790570 1.352975 0.719224
C 3.001384 -0.149187 0.287840
C 4.014750 0.643436 -0.566514
C 2.032766 -0.978901 -0.576677
C 1.019414 -1.763796 0.241919
C 4.992589 1.484190 0.285809
C -1.623292 2.597072 0.183228
C 6.003989 2.278717 -0.568347
C -0.237061 3.121098 -0.161097
C -2.759881 3.558658 -0.118378
H -1.848884 -0.756278 -1.019279
H -4.050482 0.360637 -0.818345
H -4.565460 -0.790187 0.438840
H -2.934075 -2.881301 0.935051
H -1.732918 -1.646478 1.375013
H -2.926207 0.101549 2.043312
H -3.865501 1.434945 1.360840
H -4.233944 -2.710847 -1.294180
H -3.797980 -1.435820 -2.468077
H -2.692733 -2.806531 -2.201126
H -0.569050 -3.735828 0.910736
H -1.320682 -3.874810 -0.728817
H -0.882451 0.753120 0.888950
H 2.421462 0.548831 0.923354
H 3.537861 -0.819635 0.986026
H 4.596255 -0.057733 -1.201720
H 3.469394 1.314917 -1.263200
H 1.473760 -0.331506 -1.280530
H 2.589237 -1.695983 -1.212674
H 4.412008 2.183670 0.921320
H 5.538046 0.814001 0.980740
H 6.624660 1.599528 -1.182923
H 5.483079 2.971057 -1.256720
H 6.684550 2.878638 0.063359
H -0.163040 3.378738 -1.236974
H 0.549647 2.380828 0.071081
H -0.009996 4.048965 0.401505
H -2.614031 4.518334 0.416624
H -2.788674 3.801875 -1.199484
H -3.746955 3.156839 0.162623


