%chk=000062080.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000062080

0 1
 O    2.455600     -0.7356000       1.136400    
 O   0.8909000      0.8052000      0.2431000    
 O    5.052300       1.716800     -0.9357000    
 O    4.490800     -0.9185000      -1.931700    
 O    2.788900       2.861000      0.4583000    
 O    2.081400      -3.385800      0.5984000    
 C    3.825400       1.021900     -0.7002000    
 C    4.128900     -0.4759000     -0.6257000    
 C    3.217400       1.512600      0.6123000    
 C    2.915300      -1.263100     -0.1132000    
 C    2.048900      0.6321000       1.057700    
 C    3.243800      -2.735500      0.1186000    
 C  -0.2848000      0.3609000      0.9059000    
 C   -1.475800      0.5543000     -2.1900000E-02
 C   -2.781300      0.1099000      0.6361000    
 C   -3.965800      0.2696000     -0.3197000    
 C   -5.306000     -0.1405000      0.2976000    
 C   -6.499900      8.8299997E-02 -0.6318000    
 C   -7.816100     -0.2695000      5.9999999E-02
 C   -9.009800     -8.2999999E-03 -0.8446000    
 H    3.171000       1.256000      -1.547900    
 H    4.993900     -0.6443000      2.7300000E-02
 H    3.996900       1.502000       1.385000    
 H    2.089200      -1.215200     -0.8352000    
 H    1.792400      0.9469000       2.077600    
 H    3.566500      -3.223200     -0.8062000    
 H    4.025300      -2.845400      0.8779000    
 H  -0.1852000     -0.6983000       1.170100    
 H  -0.4330000      0.9427000       1.823300    
 H   -1.539800       1.608800     -0.3182000    
 H   -1.306300     -8.1000002E-03 -0.9486000    
 H   -2.702400     -0.9394000      0.9452000    
 H   -2.957500      0.7022000       1.542000    
 H    5.650800       1.536400     -0.1908000    
 H    3.717700     -0.8072000      -2.511100    
 H   -4.027300       1.316700     -0.6417000    
 H   -3.789700     -0.3289000      -1.222100    
 H    2.404000       3.144600       1.305100    
 H   -5.457700      0.4285000       1.223500    
 H   -5.262800      -1.199500      0.5809000    
 H   -6.380000     -0.5155000      -1.539300    
 H   -6.523500       1.139600     -0.9434000    
 H    2.313200      -4.319200      0.7419000    
 H   -7.927500      0.3196000      0.9779000    
 H   -7.807900      -1.326200      0.3515000    
 H   -8.945900     -0.6051000      -1.760100    
 H   -9.065400       1.048100      -1.125900    
 H   -9.939600     -0.2724000     -0.3311000    


%chk=000062080-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000062080

0 1
O 2.556744 -0.670168 1.314468
O 1.030318 1.040710 0.533285
O 4.813454 1.648096 -1.470878
O 4.246929 -1.146475 -2.015374
O 3.133613 2.968618 0.450891
O 1.446083 -3.258159 0.172152
C 3.710445 0.970830 -0.795775
C 3.946573 -0.558682 -0.705634
C 3.405305 1.544469 0.608878
C 2.714971 -1.234715 -0.058236
C 2.235326 0.765200 1.268958
C 2.829082 -2.743395 0.090350
C -0.185536 0.448732 1.157158
C -1.359739 0.723519 0.218324
C -2.695272 0.190842 0.787168
C -3.880323 0.395473 -0.182783
C -5.225038 -0.117006 0.380125
C -6.401831 0.039477 -0.609018
C -7.746973 -0.470288 -0.043377
C -8.914001 -0.330155 -1.044580
H 2.839043 1.179067 -1.444941
H 4.840163 -0.766635 -0.083332
H 4.290171 1.383849 1.266928
H 1.808803 -1.007220 -0.653989
H 2.124601 1.031971 2.342574
H 3.351370 -3.154565 -0.794526
H 3.395642 -2.978748 1.014073
H -0.024586 -0.637341 1.299421
H -0.341254 0.924961 2.149495
H -1.431961 1.813136 0.036061
H -1.152438 0.246846 -0.759145
H -2.595644 -0.890487 1.015907
H -2.918423 0.696528 1.749789
H 5.654481 1.492805 -0.969849
H 3.911919 -0.548595 -2.729745
H -3.972103 1.473868 -0.428553
H -3.661785 -0.123989 -1.138748
H 2.741690 3.320378 1.289909
H -5.461232 0.426834 1.318753
H -5.121600 -1.186799 0.658439
H -6.168638 -0.508022 -1.546078
H -6.506174 1.108028 -0.891310
H 1.472101 -4.234240 0.331362
H -7.986364 0.086932 0.885234
H -7.637698 -1.533850 0.251626
H -8.716671 -0.909656 -1.966082
H -9.059353 0.726618 -1.338419
H -9.864692 -0.694492 -0.613456


