%chk=000170575.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170575

0 1
 O   -2.829700     -8.1400000E-02 -2.0800000E-02
 O   -4.938500      -1.522300     -0.9573000    
 C   0.1065000       2.324600      0.1647000    
 C    1.200200       1.453600      0.8171000    
 C    1.987800      0.5618000     -0.1499000    
 C    3.079100     -0.2204000      0.5906000    
 C   -1.078500       1.528400     -0.4104000    
 C    3.861100      -1.190000     -0.3150000    
 C   0.6903000       3.238400     -0.9180000    
 C   -1.751500      0.6075000      0.6013000    
 C    2.894000      -2.174000     -0.9782000    
 C    4.939200      -1.961700      0.4473000    
 C   -3.511200     -0.9212000      0.9005000    
 C   -4.648900      -1.643300      0.2282000    
 H  -0.2906000       2.974300      0.9568000    
 H   0.7740000      0.8467000       1.623400    
 H    1.912200       2.129000       1.311200    
 H    2.458300       1.160300     -0.9366000    
 H    1.281400     -0.1212000     -0.6291000    
 H    2.624500     -0.7828000       1.416500    
 H    3.783200      0.4877000       1.045700    
 H  -0.7572000      0.9339000      -1.275200    
 H   -1.830800       2.223500     -0.8059000    
 H    4.357500     -0.6111000      -1.104100    
 H   0.9993000       2.677100      -1.805400    
 H  -5.6699999E-02   3.972600      -1.239600    
 H    1.556000       3.791800     -0.5394000    
 H   -2.128000       1.195500       1.446500    
 H   -1.044200     -0.1392000      0.9753000    
 H    3.446100      -2.958100      -1.508700    
 H    2.248200      -2.662700     -0.2408000    
 H    2.262900      -1.683200      -1.724900    
 H    5.504000      -2.614900     -0.2263000    
 H    5.647700      -1.271100      0.9164000    
 H    4.499800      -2.582700       1.235200    
 H   -3.929400     -0.3242000       1.717600    
 H   -2.826400      -1.674800       1.303000    
 H   -5.230500      -2.314600      0.8831000    


%chk=000170575-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170575

0 1
O -2.912637 0.004190 -0.004732
O -5.236476 -1.279804 -0.963834
C 0.105076 2.360822 0.165742
C 1.246959 1.509628 0.797288
C 1.949184 0.505798 -0.148306
C 3.041543 -0.308853 0.582392
C -1.067559 1.512718 -0.398446
C 3.895583 -1.231984 -0.327918
C 0.637725 3.319110 -0.927111
C -1.723304 0.595048 0.636077
C 3.044706 -2.327181 -1.015897
C 5.046779 -1.872645 0.483812
C -3.610728 -0.908269 0.866665
C -4.835151 -1.509569 0.195129
H -0.307520 2.990626 0.985035
H 0.851184 0.952733 1.672561
H 2.009946 2.205521 1.204916
H 2.410037 1.048756 -0.998061
H 1.198775 -0.181926 -0.584740
H 2.570411 -0.926718 1.377377
H 3.720729 0.399333 1.102792
H -0.727072 0.901447 -1.255416
H -1.850413 2.190314 -0.790382
H 4.345007 -0.597901 -1.122679
H 1.002715 2.761815 -1.809573
H -0.158153 4.004026 -1.273889
H 1.473726 3.933857 -0.544279
H -2.029493 1.172280 1.538954
H -1.034954 -0.216642 0.960476
H 3.679541 -2.989149 -1.634027
H 2.537160 -2.957753 -0.259433
H 2.269591 -1.895814 -1.674302
H 5.688017 -2.504824 -0.158533
H 5.687538 -1.102072 0.952432
H 4.643370 -2.513673 1.291995
H -3.960562 -0.410200 1.805751
H -2.961569 -1.759916 1.192142
H -5.378511 -2.221327 0.874825


