%chk=000127763.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127763

0 1
 O   -3.131800      0.8865000      -1.461100    
 O    2.529500       1.240500      0.3679000    
 O   0.3895000       2.839800       1.295400    
 O    4.417300       2.175100     -0.4721000    
 C   -1.293300       1.801200     -0.1692000    
 C  -0.4417000       1.690100       1.129000    
 C   -2.204500      0.5654000     -0.4226000    
 C   0.4443000      0.4420000       1.244900    
 C    1.460300      0.2995000      0.1188000    
 C   -2.990300      5.5599999E-02  0.8189000    
 C    2.015300      -1.121800     -4.2700000E-02
 C   -2.100700       3.109900     -0.1308000    
 C   -3.369100      -1.444700      0.7033000    
 C    2.552100      -1.744700       1.246900    
 C   -4.230400      0.9079000       1.115200    
 C    3.110600      -1.062600      -1.066200    
 C    3.827000      4.6000000E-02  -1.278900    
 C    3.063100      -3.151300       1.007900    
 C    3.619200       1.244800     -0.4457000    
 C   -2.206700      -2.378400      0.5087000    
 C   -2.509700      0.8493000      -2.735400    
 C   -2.050300      -3.159200     -0.5702000    
 C  -0.8999000      -4.090800     -0.7621000    
 H  -0.6166000       1.922800      -1.022500    
 H   -1.111700       1.713100       1.995700    
 H   -1.544300     -0.2390000     -0.7662000    
 H   0.9785000      0.4933000       2.202800    
 H  -0.1894000     -0.4459000       1.277900    
 H    1.002000      0.5866000     -0.8344000    
 H   -2.360000      0.1014000       1.710800    
 H    1.206500      -1.752700     -0.4333000    
 H   -2.581000       3.277200      0.8352000    
 H   -2.855900       3.180800     -0.9177000    
 H   -1.424100       3.960500     -0.2808000    
 H   -3.891200      -1.753500       1.618000    
 H   -4.092200      -1.564400     -0.1142000    
 H    1.752900      -1.799800       1.994800    
 H    3.352300      -1.134000       1.682500    
 H   -4.912700      0.9563000      0.2609000    
 H   -3.977900       1.921400       1.422200    
 H   -4.793800      0.4705000       1.947900    
 H    3.310800      -1.947200      -1.663900    
 H   0.8418000       2.759200       2.152400    
 H    4.618100      7.0000000E-02  -2.019300    
 H    3.971400      -3.163500      0.3978000    
 H    3.314100      -3.621900       1.964500    
 H    2.307500      -3.775300      0.5202000    
 H   -1.475200      -2.423100       1.311100    
 H   -3.285700       1.004900      -3.490700    
 H   -2.050000     -0.1263000      -2.923100    
 H   -1.772300       1.647200      -2.851800    
 H   -2.785100      -3.123100      -1.370000    
 H  -0.3349000      -3.807100      -1.655100    
 H  -0.2157000      -4.084800      9.2000000E-02
 H   -1.266700      -5.112900     -0.8965000    


%chk=000127763-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127763

0 1
O -2.934777 1.066890 -1.560562
O 2.205887 1.217223 0.059198
O 0.462713 2.533864 1.818328
O 3.787608 2.418013 -1.094401
C -1.274483 1.835229 0.169757
C -0.420921 1.428287 1.410773
C -2.207485 0.683613 -0.329617
C 0.401107 0.115384 1.270428
C 1.278149 0.023203 0.016551
C -3.289418 0.147034 0.653733
C 2.084243 -1.287662 -0.154232
C -2.009793 3.165436 0.444119
C -3.656407 -1.328184 0.279478
C 2.873042 -1.736281 1.115500
C -4.582767 0.998047 0.695715
C 3.003868 -1.122937 -1.350960
C 3.479088 0.098061 -1.728319
C 3.662915 -3.047603 0.915666
C 3.191896 1.329834 -0.951929
C -2.581515 -2.344181 0.602709
C -2.087018 1.208067 -2.739874
C -1.987514 -3.181571 -0.290238
C -0.952270 -4.231560 0.051755
H -0.555230 2.030904 -0.655727
H -1.098374 1.309405 2.278014
H -1.554083 -0.181574 -0.594778
H 1.032400 0.038134 2.174060
H -0.278576 -0.759305 1.261348
H 0.661706 0.158883 -0.896155
H -2.844295 0.136312 1.671021
H 1.344976 -2.084353 -0.382538
H -2.579892 3.125361 1.390135
H -2.710565 3.397211 -0.377316
H -1.278454 3.983781 0.545620
H -4.576990 -1.595874 0.839049
H -3.912929 -1.362793 -0.796831
H 2.151470 -1.875902 1.942096
H 3.558893 -0.923009 1.420516
H -5.055735 1.020340 -0.300172
H -4.392689 2.039162 0.999340
H -5.297698 0.556716 1.415628
H 3.309647 -2.020680 -1.902526
H 1.264698 2.507296 1.227812
H 4.159478 0.228641 -2.575144
H 4.469753 -2.933449 0.169642
H 4.132362 -3.364548 1.863945
H 3.000079 -3.868322 0.579809
H -2.289886 -2.413181 1.665346
H -2.772631 1.302395 -3.597750
H -1.440176 0.313960 -2.884878
H -1.444148 2.110797 -2.694160
H -2.293140 -3.122147 -1.347049
H -0.026729 -4.103732 -0.545460
H -0.681312 -4.198839 1.122485
H -1.328779 -5.248995 -0.171862


