%chk=000168846.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168846

0 1
 O   -3.383600      -1.952000     -0.1311000    
 O   -1.962200      9.8399997E-02  -1.594800    
 O   0.5346000      -2.288000      0.9790000    
 O   -1.826200       2.766300     -0.5279000    
 O   0.8406000       3.025700     -0.3747000    
 O    3.588300      -1.051300       1.553400    
 C   -1.255700     -0.8035000      0.5470000    
 C   -1.895900      0.3990000     -0.1996000    
 C    1.387200      0.6542000     -0.3890000    
 C   -2.436700      -1.688700      0.9166000    
 C    1.009600     -0.7900000     -0.9060000    
 C   -3.382300      0.4977000      0.3982000    
 C   -3.699100     -0.9244000      0.8104000    
 C  -0.1075000      -1.607700     -0.1251000    
 C   -1.057000       1.671300      1.6000000E-03
 C   0.2994000       1.727200     -0.7017000    
 C    2.672900       1.137900      -1.125800    
 C    3.745500      0.2430000     -0.5392000    
 C    1.907200      0.6366000       1.065700    
 C    3.401100      0.2332000      0.9718000    
 C    2.256100      -1.730600      -1.119400    
 C    3.628100      -1.086600      -1.267100    
 C   -4.437300      0.9777000     -0.6103000    
 C   -3.475700       1.363800       1.675100    
 C  -0.6228000      -2.731600      -1.060000    
 C    4.271300       1.222300       1.752900    
 H  -0.9058000     -0.4180000       1.514500    
 H   -2.289100      -2.407000       1.706100    
 H   0.6122000     -0.6145000      -1.917400    
 H   -4.512500      -1.080500       1.500100    
 H  -0.9175000       1.882000       1.068400    
 H   0.1238000       1.745000      -1.786500    
 H    2.937200       2.176800     -0.8979000    
 H    2.582800       1.059200      -2.215700    
 H    4.743900      0.6560000     -0.7242000    
 H    1.827800       1.647400       1.486300    
 H    1.337700      6.9999998E-04   1.737800    
 H    2.080200      -2.350200      -2.008400    
 H    2.350700      -2.448800     -0.2993000    
 H    4.401600      -1.781400     -0.9179000    
 H    3.831300     -0.9305000      -2.335000    
 H   -4.508200      0.3155000      -1.479600    
 H   -5.433600      0.9928000     -0.1522000    
 H   -4.223700       1.988400     -0.9696000    
 H   -4.464400       1.267600       2.140300    
 H   -2.742000       1.052800       2.427000    
 H   -3.326000       2.426800       1.465600    
 H   0.1977000      -3.363300      -1.415900    
 H   -1.278300      -3.432000     -0.5322000    
 H   -1.145500      -2.340600      -1.935800    
 H   -2.525700     -0.6841000      -1.712400    
 H   0.5304000      -1.737900       1.775700    
 H    4.191000       2.239800       1.357000    
 H    3.988800       1.239400       2.811700    
 H    5.324100      0.9198000       1.716600    
 H   -1.328800       3.583200     -0.3517000    
 H    1.171400       3.421000      -1.199400    
 H    3.302900      -1.007200       2.481800    


%chk=000168846-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168846

0 1
O -3.640634 -1.747820 -0.507566
O -2.226036 0.312354 -1.644205
O -0.008973 -2.957587 0.379087
O -1.704466 2.820302 -0.177754
O 0.721533 2.892406 -0.950346
O 3.849210 -0.556436 1.947389
C -1.344668 -0.968560 0.319385
C -1.964394 0.384955 -0.200554
C 1.384751 0.517233 -0.455187
C -2.577119 -1.826664 0.603966
C 1.119486 -0.997626 -0.844383
C -3.340535 0.526712 0.609228
C -3.759881 -0.937028 0.780572
C -0.253978 -1.752682 -0.489264
C -0.999911 1.556927 0.031360
C 0.237364 1.475411 -0.905908
C 2.703706 0.921154 -1.208166
C 3.800508 0.197031 -0.403356
C 1.832298 0.697548 1.034887
C 3.404218 0.552650 1.067921
C 2.322240 -1.876615 -0.375182
C 3.714967 -1.309127 -0.722949
C -4.404992 1.353313 -0.147212
C -3.133079 1.116905 2.031904
C -0.786093 -2.398738 -1.783389
C 4.078034 1.858007 1.537796
H -0.893056 -0.755663 1.314376
H -2.470961 -2.822611 1.038753
H 1.137821 -0.991497 -1.954316
H -4.629661 -1.197315 1.394102
H -0.655710 1.518394 1.086051
H -0.112546 1.186003 -1.916127
H 2.846505 2.014322 -1.148445
H 2.694878 0.626124 -2.274578
H 4.814103 0.576722 -0.631421
H 1.545319 1.704202 1.391747
H 1.375686 -0.047449 1.712657
H 2.207336 -2.894252 -0.786182
H 2.308325 -1.977655 0.727295
H 4.479572 -1.869668 -0.157304
H 3.931713 -1.442170 -1.802665
H -4.692097 0.877998 -1.100070
H -5.314469 1.452256 0.476213
H -4.003634 2.353823 -0.369757
H -4.079452 1.059636 2.601996
H -2.362762 0.573906 2.611864
H -2.841930 2.177995 1.958900
H -0.001416 -3.053820 -2.202147
H -1.675309 -3.018664 -1.584571
H -1.045863 -1.624167 -2.522047
H -2.880027 -0.439261 -1.741396
H 0.564324 -2.691676 1.142629
H 3.829149 2.699993 0.867458
H 3.734304 2.139317 2.553482
H 5.176231 1.739495 1.560018
H -0.991746 3.452877 -0.480330
H 1.100730 3.077785 -1.842592
H 3.815386 -0.240904 2.886133


