%chk=000097596.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097596

0 1
 O  -9.3699999E-02 -0.5547000       1.055400    
 O   -1.835000      -1.094400      -1.910100    
 O    1.243000       1.101300      -1.544800    
 C   -1.359300     -0.4728000      0.3998000    
 C   -2.378100      -1.308600       1.200700    
 C   -3.699100     -0.5396000       1.143700    
 C   -1.964500      0.9018000      0.3606000    
 C   -1.091800      -1.104800     -0.9421000    
 C   -3.250200      0.8326000      0.7544000    
 C   0.7095000      -1.371700      0.2527000    
 C   0.2080000      -1.778100     -0.9165000    
 C    2.065900      -1.674000      0.8179000    
 C    3.166000     -0.5915000      0.5859000    
 C   -4.696900      -1.120600      0.1507000    
 C   -1.395300       2.176300     -3.5500001E-02
 C   0.7388000      -2.607800      -2.016200    
 C    4.404300      -1.038100       1.414100    
 C    3.641200     -0.5632000     -0.8795000    
 C    2.755000      0.7811000       1.117400    
 C  -0.1708000       2.590800     -0.4046000    
 C    1.887600       1.715900      0.6953000    
 C    1.010800       1.702000     -0.5075000    
 C   0.1045000       4.018200     -0.7917000    
 H   -2.053200      -1.397200       2.247000    
 H   -2.481500      -2.333300      0.8236000    
 H   -4.156300     -0.5182000       2.139600    
 H   -3.924000       1.679500      0.8021000    
 H    1.941300      -1.841600       1.897400    
 H    2.420100      -2.635400      0.4223000    
 H   -4.297900      -1.147200     -0.8683000    
 H   -4.967800      -2.143700      0.4322000    
 H   -5.615700     -0.5241000      0.1312000    
 H   -2.146400       2.971500     -1.7999999E-02
 H    1.748200      -2.972200      -1.805600    
 H   0.7789000      -2.031300      -2.945800    
 H   9.6699998E-02  -3.478900      -2.179200    
 H    4.174300      -1.095900       2.485000    
 H    5.240300     -0.3386000       1.291100    
 H    4.754000      -2.030000       1.104000    
 H    2.824200     -0.5249000      -1.598100    
 H    4.207200      -1.470300      -1.125200    
 H    4.299200      0.2927000      -1.069000    
 H    3.229700       1.040500       2.067100    
 H    1.760700       2.585200       1.339500    
 H   0.5308000       4.063800      -1.799600    
 H   0.8133000       4.477600     -9.5200002E-02
 H  -0.8035000       4.630500     -0.7916000    


%chk=000097596-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097596

0 1
O -0.085879 -0.506114 1.042280
O -2.020391 -1.339746 -1.912663
O 1.061709 0.912513 -1.494233
C -1.433765 -0.474124 0.368200
C -2.440891 -1.304004 1.234602
C -3.809590 -0.563061 1.118181
C -2.056084 0.922014 0.332159
C -1.167447 -1.203261 -0.989935
C -3.369799 0.829654 0.722109
C 0.754926 -1.330132 0.267742
C 0.178508 -1.775904 -0.903781
C 2.102577 -1.584594 0.874268
C 3.277642 -0.571349 0.559447
C -4.775687 -1.196594 0.078149
C -1.478080 2.214269 -0.048397
C 0.774396 -2.621481 -1.990859
C 4.491851 -1.051792 1.408522
C 3.679489 -0.622596 -0.941784
C 2.930137 0.851867 1.019998
C -0.200571 2.610456 -0.344603
C 2.000582 1.765776 0.599421
C 0.974723 1.672030 -0.478581
C 0.126587 4.068492 -0.627940
H -2.074673 -1.270407 2.276251
H -2.497269 -2.357908 0.915317
H -4.326380 -0.543989 2.099430
H -4.059182 1.682421 0.718735
H 1.972841 -1.619288 1.973216
H 2.452697 -2.582230 0.546659
H -4.280266 -1.268143 -0.905392
H -5.079190 -2.210193 0.400366
H -5.691349 -0.585935 -0.030640
H -2.225047 3.023734 -0.022014
H 1.623174 -3.229886 -1.631670
H 1.139463 -1.984938 -2.818949
H 0.006353 -3.292060 -2.415224
H 4.261457 -1.041473 2.490851
H 5.366986 -0.398380 1.237059
H 4.782080 -2.081366 1.130409
H 2.851020 -0.293135 -1.585505
H 3.974569 -1.654164 -1.214704
H 4.546976 0.038117 -1.124731
H 3.527541 1.182685 1.885503
H 1.931222 2.688318 1.193432
H 0.511066 4.191251 -1.658998
H 0.910638 4.456906 0.051325
H -0.767169 4.706346 -0.516424


