%chk=000100659.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100659

0 1
 O   -4.517800       2.487900      0.4656000    
 O   -4.567600      -2.261400      0.4722000    
 O   -6.985200      -2.390300     -0.8629000    
 O   -6.931700       2.316100     -0.8652000    
 C    3.111200     -0.1152000     -0.1822000    
 C    4.472700     -8.0899999E-02  0.5180000    
 C    1.927600     -0.1095000      0.7890000    
 C    5.655400     -6.1799999E-02 -0.4530000    
 C   0.5958000     -0.1321000      3.4499999E-02
 C    6.987800     -1.5400000E-02  0.2987000    
 C  -0.6278000     -0.1067000      0.9559000    
 C    8.174000     -3.4600001E-02 -0.6683000    
 C   -1.989500     -4.2399999E-02  0.2561000    
 C    9.503700      4.5499999E-02  8.5100003E-02
 C   -3.167600      4.3299999E-02   1.227000    
 C    10.72410      6.0699999E-02 -0.8378000    
 C   -4.472800      0.1136000      0.5068000    
 C    12.04690      0.1671000     -9.5100001E-02
 C   -5.077700       1.261400      0.1649000    
 C   -5.100600      -1.197200      0.1701000    
 C   -6.397700      -1.182500     -0.5472000    
 C   -6.376900       1.267700     -0.5519000    
 C   -6.986600     -3.3399999E-02 -0.8804000    
 H    3.056900      -1.010000     -0.8146000    
 H    3.033000      0.7506000     -0.8515000    
 H    4.520400      0.8063000       1.161600    
 H    4.557900     -0.9543000       1.176400    
 H    1.990100     -0.9805000       1.451900    
 H    1.976700      0.7845000       1.422000    
 H    5.574200      0.8094000      -1.114000    
 H    5.619900     -0.9550000      -1.088100    
 H   0.5473000      -1.027800     -0.5967000    
 H   0.5490000      0.7324000     -0.6392000    
 H    7.057300     -0.8726000      0.9794000    
 H    7.028700      0.8912000      0.9148000    
 H  -0.6027000     -0.9955000       1.599000    
 H  -0.5407000      0.7599000       1.623800    
 H    8.147300     -0.9514000      -1.269400    
 H    8.096600      0.8107000      -1.362700    
 H   -2.096900     -0.9266000     -0.3847000    
 H   -1.999000      0.8295000     -0.4105000    
 H    9.583500     -0.8067000      0.7714000    
 H    9.514100      0.9516000      0.7036000    
 H   -3.033300      0.8935000       1.906000    
 H   -3.150500     -0.8272000       1.895600    
 H    10.64200      0.9041000      -1.533800    
 H    10.73080     -0.8524000      -1.444900    
 H    12.88150      0.1727000     -0.8031000    
 H    12.18160     -0.6800000      0.5847000    
 H    12.09140       1.089600      0.4924000    
 H   -7.936100     -1.1400000E-02  -1.405100    
 H   -3.607500       2.377800      0.7791000    
 H   -7.822200      -2.215300      -1.326700    


%chk=000100659-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100659

0 1
O -4.514499 2.425978 0.259268
O -4.797690 -2.394131 0.613850
O -7.179428 -2.432204 -0.674423
O -6.917830 2.386962 -1.020130
C 3.124783 -0.029862 -0.199579
C 4.483692 -0.027851 0.536185
C 1.911450 -0.050305 0.757013
C 5.697815 -0.005106 -0.419445
C 0.552729 -0.043752 0.020784
C 7.056671 0.000628 0.316517
C -0.658866 -0.060517 0.979410
C 8.271189 0.023930 -0.638810
C -2.014523 -0.038655 0.240712
C 9.630330 0.030618 0.096741
C -3.224641 -0.070613 1.219858
C 10.844412 0.053559 -0.859845
C -4.562217 -0.002460 0.509639
C 12.198418 0.060088 -0.117586
C -5.111903 1.190468 0.077998
C -5.270061 -1.273162 0.249121
C -6.596477 -1.194855 -0.481899
C -6.435271 1.274544 -0.645919
C -7.127394 0.003420 -0.892250
H 3.074799 -0.910099 -0.874211
H 3.061493 0.865621 -0.852983
H 4.533056 0.852027 1.211633
H 4.548095 -0.923660 1.188951
H 1.971956 -0.948435 1.406645
H 1.965585 0.827498 1.434874
H 5.632449 0.889583 -1.073773
H 5.650265 -0.886033 -1.093542
H 0.497631 -0.922613 -0.654545
H 0.494939 0.853310 -0.630970
H 7.122483 -0.894064 0.970752
H 7.104211 0.881507 0.990774
H -0.608264 -0.965261 1.619564
H -0.593622 0.810685 1.665883
H 8.224186 -0.857266 -1.312728
H 8.205239 0.918365 -1.293518
H -2.084289 -0.917445 -0.428946
H -2.066827 0.855979 -0.414447
H 9.698160 -0.863634 0.751467
H 9.679397 0.911987 0.770313
H -3.123644 0.749153 1.965186
H -3.186224 -1.015536 1.790349
H 10.775678 0.947140 -1.513669
H 10.794247 -0.827157 -1.532473
H 13.048858 0.077787 -0.823985
H 12.305965 -0.838983 0.518424
H 12.285867 0.946437 0.539039
H -8.085054 0.077024 -1.421835
H -3.651154 2.332343 0.739786
H -8.045168 -2.355982 -1.152625


