%chk=000177379.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177379

0 1
 O    2.291400      0.8489000     -0.7203000    
 O    5.232300      0.7630000      0.3591000    
 O   -5.088800     -0.9596000     -0.9697000    
 C   -1.139900     -0.5599000      0.4226000    
 C   0.3373000     -0.5079000     -0.1373000    
 C   -1.931600      0.6091000     -0.2829000    
 C    1.074600      0.8465000      5.6800000E-02
 C   -3.483600      0.6285000     -6.5099999E-02
 C   -1.242500       1.974700     -6.8599999E-02
 C   0.2081000       1.964900     -0.5596000    
 C    1.263100      -1.669100      0.2582000    
 C   -1.809000      -1.895100     -1.4300000E-02
 C    3.214000     -0.2478000     -0.6025000    
 C    2.519800      -1.620700     -0.6086000    
 C   -1.152200     -0.4959000       1.965000    
 C   -3.309000      -1.958400      0.2432000    
 C    1.420500       1.250600       1.500900    
 C   -4.036600     -0.7780000     -0.3532000    
 C    4.118100     -8.3400004E-02  0.6012000    
 C   -3.941000       1.055800       1.336200    
 C   -4.140200       1.605600      -1.073800    
 C    4.096600     -0.1432000      -1.863500    
 C    5.498500     -0.6286000      0.5763000    
 H   0.2264000     -0.6220000      -1.229500    
 H   -1.818900      0.4071000      -1.362100    
 H   -1.288900       2.277100      0.9812000    
 H   -1.760100       2.758800     -0.6300000    
 H   0.2090000       1.859300      -1.653800    
 H   0.6672000       2.944700     -0.3726000    
 H   0.7808000      -2.636800      9.1799997E-02
 H    1.539100      -1.633500       1.315700    
 H   -1.345500      -2.744100      0.5014000    
 H   -1.638700      -2.050000      -1.088300    
 H    3.213100      -2.412600     -0.2999000    
 H    2.210300      -1.865200      -1.634200    
 H   -1.095100      0.5235000       2.347500    
 H   -2.051200     -0.9350000       2.401300    
 H  -0.3247000      -1.064400       2.399200    
 H   -3.545400      -2.010200       1.309400    
 H   -3.705700      -2.873100     -0.2131000    
 H    2.268400       1.945600       1.516500    
 H   0.5999000       1.759100       2.011300    
 H    1.687100      0.3958000       2.125100    
 H    3.636400     -7.3500000E-02   1.563300    
 H   -3.696000      0.3265000       2.108500    
 H   -3.515000       2.021100       1.626300    
 H   -5.032900       1.160500       1.369400    
 H   -3.882600       2.648200     -0.8634000    
 H   -3.838300       1.376900      -2.102300    
 H   -5.234800       1.543900      -1.039600    
 H    4.793100     -0.9768000      -1.987100    
 H    3.454200     -0.1478000      -2.754800    
 H    4.643100      0.8047000      -1.927100    
 H    5.951200     -0.9003000       1.523800    
 H    5.869900      -1.221000     -0.2458000    


%chk=000177379-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000177379

0 1
O 2.280854 0.802594 -0.804308
O 5.011334 0.973025 0.705792
O -5.157233 -0.942471 -0.982599
C -1.153216 -0.577347 0.464632
C 0.317889 -0.531321 -0.113663
C -1.923689 0.598405 -0.260207
C 1.063125 0.830305 0.077564
C -3.495524 0.649360 -0.100247
C -1.235011 1.965365 -0.014251
C 0.218489 1.966177 -0.542504
C 1.254628 -1.702954 0.268583
C -1.817143 -1.913908 0.010956
C 3.242723 -0.335922 -0.693862
C 2.489072 -1.696284 -0.667352
C -1.165874 -0.517671 2.018295
C -3.343524 -1.953569 0.266157
C 1.472948 1.215721 1.523869
C -4.085669 -0.766623 -0.340664
C 4.096613 -0.218376 0.579994
C -3.983485 1.112565 1.311547
C -4.102830 1.622582 -1.147633
C 4.084547 -0.187824 -1.972075
C 5.582710 -0.419035 0.608601
H 0.188642 -0.607294 -1.217710
H -1.776757 0.382520 -1.344714
H -1.251587 2.222310 1.063123
H -1.791990 2.767553 -0.530640
H 0.215456 1.824913 -1.640373
H 0.708990 2.937160 -0.341516
H 0.736783 -2.672063 0.151919
H 1.566924 -1.642183 1.329041
H -1.355910 -2.772218 0.535884
H -1.630857 -2.062295 -1.072894
H 3.198449 -2.498273 -0.381450
H 2.148344 -1.917667 -1.697827
H -1.025642 0.502010 2.410433
H -2.112240 -0.899595 2.437248
H -0.359268 -1.148494 2.434180
H -3.539664 -1.957705 1.357915
H -3.791569 -2.877518 -0.139508
H 2.384205 1.835876 1.472002
H 0.685376 1.817362 2.008828
H 1.672465 0.351333 2.179227
H 3.565959 -0.435231 1.515714
H -3.718663 0.411943 2.119532
H -3.544623 2.096335 1.555943
H -5.082703 1.224994 1.302189
H -3.928754 2.674720 -0.863442
H -3.671210 1.455076 -2.151607
H -5.190256 1.455623 -1.223106
H 4.720534 -1.075338 -2.141594
H 3.404186 -0.074781 -2.831852
H 4.719882 0.712471 -1.910104
H 6.051920 -0.795012 1.527030
H 6.127143 -0.622827 -0.320295


