%chk=000161271.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161271

0 1
 O   0.3275000     -0.5230000     -0.1144000    
 O   -5.175600     -7.3600002E-02  5.6100000E-02
 O   -3.963500      -2.527800     -0.3349000    
 O   -3.663000       2.177100      0.3663000    
 O   -1.257100       3.183900      0.4744000    
 O    6.649800     -0.5015000     -0.2073000    
 C   -1.641700      0.8776000      0.1320000    
 C   -1.033900     -0.3612000     -6.5399997E-02
 C    1.131500      0.5973000      3.0900000E-02
 C   -3.033800      0.9829000      0.1737000    
 C  -0.7918000       2.066800      0.2959000    
 C   -1.817200      -1.504900     -0.2224000    
 C   -3.814800     -0.1628000      1.6000001E-02
 C    2.578600      0.3097000     -3.2099999E-02
 C   -3.208000      -1.403900     -0.1817000    
 C   0.6663000       1.840400      0.2324000    
 C    3.467900       1.279400     -0.5013000    
 C    3.064400     -0.9343000      0.3780000    
 C    4.834500       1.006800     -0.5604000    
 C    4.431100      -1.207000      0.3192000    
 C    5.316400     -0.2363000     -0.1500000    
 C   -5.844700      0.1564000      -1.181200    
 C   -4.297800      -3.249700      0.8486000    
 C    7.074800      -1.792300      0.2277000    
 H   -1.345800      -2.472300     -0.3767000    
 H    1.296700       2.710500      0.3735000    
 H    3.130800       2.251500     -0.8509000    
 H    2.398200      -1.706100      0.7561000    
 H    5.519000       1.764900     -0.9312000    
 H    4.737800      -2.191700      0.6551000    
 H   -3.018000       2.894700      0.4569000    
 H   -5.524500       1.105300      -1.623100    
 H   -6.919100      0.2079000     -0.9851000    
 H   -5.656300     -0.6649000      -1.879800    
 H   -4.877500      -2.621900       1.532700    
 H   -3.392100      -3.610900       1.346100    
 H   -4.907600      -4.111400      0.5636000    
 H    6.659300      -2.586100     -0.4023000    
 H    6.859500      -1.949800       1.290000    
 H    8.163000      -1.830000      0.1132000    


%chk=000161271-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161271

0 1
O 0.439095 -0.574561 0.027138
O -5.208251 -0.470180 -0.020881
O -3.719140 -2.919890 0.101707
O -3.705040 2.001864 -0.046300
O -1.450140 3.148545 -0.104599
O 6.830665 -0.354504 0.023113
C -1.628434 0.749017 -0.026146
C -0.970685 -0.506852 0.026225
C 1.201127 0.602081 -0.013908
C -3.062331 0.782609 -0.019481
C -0.853451 1.985618 -0.065831
C -1.677194 -1.710741 0.099677
C -3.805103 -0.429600 -0.000653
C 2.647672 0.330816 -0.003201
C -3.094446 -1.670363 0.092899
C 0.586512 1.843731 -0.059011
C 3.599092 1.394329 -0.010479
C 3.134424 -1.003939 0.014186
C 4.974105 1.131997 -0.001646
C 4.514900 -1.281536 0.023184
C 5.442966 -0.209078 0.015180
C -5.893764 0.350540 -1.049171
C -4.868117 -3.142421 1.011515
C 7.379621 -1.716179 0.043107
H -1.168453 -2.674134 0.161416
H 1.181974 2.756924 -0.093770
H 3.266497 2.436729 -0.020823
H 2.417261 -1.828789 0.019754
H 5.708118 1.942866 -0.006303
H 4.852309 -2.321789 0.035565
H -2.945265 2.732710 -0.071628
H -5.693492 1.420358 -0.883872
H -6.962760 0.122449 -0.920505
H -5.559865 0.048997 -2.059949
H -5.684897 -2.437799 0.795271
H -4.538269 -3.032528 2.061971
H -5.174373 -4.181768 0.820296
H 7.075477 -2.282554 -0.857680
H 7.064150 -2.260420 0.953578
H 8.470804 -1.582856 0.048252


