%chk=000041698.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041698

0 1
 O    2.019000       1.584200     -0.2584000    
 O    3.269900     -0.3906000     -0.4782000    
 O   0.9030000      -1.862900      0.9481000    
 C    2.883600      0.6612000      0.4165000    
 C   -1.437900     -2.8600000E-02  0.4418000    
 C    2.161400      7.9700001E-02   1.616700    
 C   -2.593400      0.9541000      0.5510000    
 C   -1.592500      -1.108000     -0.6091000    
 C  -0.3503000      0.1583000       1.215000    
 C   -2.479600       2.194200     -0.3410000    
 C   -2.281100      -2.370700     -8.2599998E-02
 C    2.198400       1.283500      -1.640900    
 C    2.457800     -0.1981000      -1.636100    
 C   0.8969000     -0.6692000       1.229700    
 C   -3.661000       3.143900     -0.2050000    
 C   -2.394100      -3.431000      -1.167500    
 H    3.787800       1.191300      0.7340000    
 H    1.905200      0.8705000       2.330800    
 H    2.806500     -0.6327000       2.144700    
 H   -3.532200      0.4289000      0.3319000    
 H   -2.689000       1.281500       1.595500    
 H  -0.6157000      -1.374800      -1.025500    
 H   -2.159300     -0.7046000      -1.458200    
 H  -0.3295000       1.013000       1.888000    
 H    3.066200       1.845300      -2.003100    
 H    1.314600       1.567400      -2.217400    
 H    1.538000     -0.7755000      -1.521700    
 H    2.981200     -0.5432000      -2.531500    
 H   -1.559000       2.738600     -9.7900003E-02
 H   -2.394500       1.885000      -1.389700    
 H   -3.284600      -2.125300      0.2846000    
 H   -1.722000      -2.783100      0.7652000    
 H   -4.595800       2.645200     -0.4796000    
 H   -3.530300       4.009700     -0.8616000    
 H   -3.753600       3.506300      0.8236000    
 H   -2.891700      -4.323200     -0.7747000    
 H   -1.404900      -3.726200      -1.531800    
 H   -2.978100      -3.062400      -2.017000    


%chk=000041698-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041698

0 1
O 2.374004 1.680493 0.848422
O 2.875728 0.297716 -1.012033
O 0.756673 -2.388372 0.299581
C 2.998561 0.405101 0.466353
C -1.379978 -0.263778 0.132127
C 2.331800 -0.773322 1.183821
C -2.327965 0.923794 0.195377
C -1.908865 -1.507843 -0.554363
C -0.120480 -0.151722 0.679970
C -2.368104 1.724610 -1.140690
C -2.540836 -2.503829 0.467341
C 2.537921 2.554038 -0.334971
C 2.316895 1.578525 -1.509568
C 0.938649 -1.183280 0.666431
C -3.370135 2.897383 -1.087359
C -3.131677 -3.743022 -0.236076
H 4.084011 0.444037 0.700711
H 2.268831 -0.511823 2.259418
H 2.982368 -1.659061 1.086024
H -3.355648 0.567324 0.414750
H -2.035647 1.613512 1.010118
H -1.094563 -2.042163 -1.073717
H -2.685437 -1.225609 -1.293759
H 0.162583 0.796213 1.154094
H 3.557647 2.988772 -0.350631
H 1.783976 3.352041 -0.257132
H 1.241256 1.445137 -1.732012
H 2.864706 1.858468 -2.424632
H -1.350294 2.106966 -1.356047
H -2.631992 1.044090 -1.973626
H -3.329544 -1.988703 1.052176
H -1.752694 -2.815240 1.176200
H -4.398909 2.533378 -0.906410
H -3.374591 3.464309 -2.036190
H -3.115194 3.600813 -0.272617
H -3.580539 -4.440335 0.494973
H -2.344712 -4.289817 -0.787162
H -3.918404 -3.457103 -0.960291


