%chk=000176725.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176725

0 1
 O    2.725500      -1.443800      0.6273000    
 O   -1.584600       1.823000     -0.1878000    
 C    1.734300       3.181700      -1.488300    
 C    2.704900       2.944600     -0.3145000    
 C    3.246900       1.512700     -0.2484000    
 C    4.190100       1.334500      0.9462000    
 C    4.702800     -0.1107000       1.112700    
 C   0.4237000       2.377600      -1.397400    
 C    2.455200       2.922600      -2.815500    
 C    3.638700      -1.076000       1.651300    
 C    5.931000     -0.1075000       2.030400    
 C  -0.4131000       2.630600     -0.1473000    
 C    1.715700      -2.316400       1.116300    
 C   -2.419500       2.061900      0.9362000    
 C   0.7855000      -2.667800     -7.4000000E-03
 C   -3.633900       1.186000      0.8393000    
 C  -0.3372000      -1.878200     -0.2561000    
 C    1.043600      -3.783700     -0.8036000    
 C   -4.774700       1.645700      0.1812000    
 C   -3.622000     -8.8399999E-02   1.406600    
 C   -1.201800      -2.204500      -1.300900    
 C   0.1790000      -4.109900      -1.848500    
 C   -5.903700      0.8315000      9.0899996E-02
 C   -4.750900     -0.9026000       1.316200    
 C  -0.9438000      -3.320300      -2.097100    
 C   -5.891700     -0.4426000      0.6582000    
 H    1.466700       4.247000      -1.467800    
 H    2.217900       3.203500      0.6323000    
 H    3.550900       3.637700     -0.4127000    
 H    3.790700       1.256800      -1.163400    
 H    2.404600      0.8234000     -0.1591000    
 H    5.044000       2.009900      0.8045000    
 H    3.689300       1.654800       1.868500    
 H    5.030400     -0.4687000      0.1276000    
 H   0.6261000       1.302400      -1.481300    
 H  -0.1968000       2.609600      -2.273800    
 H    2.636200       1.856600      -2.984500    
 H    3.413300       3.451000      -2.858100    
 H    1.843700       3.281500      -3.651000    
 H    4.122500      -1.989600       2.018100    
 H    3.098700     -0.6177000       2.488800    
 H    6.349400      -1.115200       2.125000    
 H    6.718200      0.5400000       1.629700    
 H    5.673300      0.2494000       3.033400    
 H  -0.6941000       3.688900     -9.7700000E-02
 H   0.1542000       2.371300      0.7523000    
 H    2.170600      -3.226300       1.527300    
 H    1.158700      -1.830000       1.926900    
 H   -1.873300       1.846600       1.863100    
 H   -2.718400       3.117200      0.9665000    
 H  -0.5452000      -1.004000      0.3546000    
 H    1.916200      -4.405200     -0.6212000    
 H   -4.795300       2.635600     -0.2668000    
 H   -2.738900     -0.4586000       1.920500    
 H   -2.075100      -1.588500      -1.495000    
 H   0.3802000      -4.978200      -2.469000    
 H   -6.791600       1.189200     -0.4221000    
 H   -4.741400      -1.895100       1.757100    
 H   -1.616800      -3.574000      -2.910900    
 H   -6.770500      -1.077000      0.5873000    


%chk=000176725-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176725

0 1
O 3.094949 -1.415155 0.647819
O -1.722147 1.601759 -0.325712
C 1.584563 3.258593 -1.316038
C 2.595903 2.956746 -0.169873
C 3.305194 1.583400 -0.239195
C 4.267826 1.369309 0.952969
C 5.075050 0.040450 0.918920
C 0.365991 2.296001 -1.346200
C 2.275366 3.284895 -2.701267
C 4.292985 -1.170886 1.461182
C 6.385568 0.174168 1.735700
C -0.450136 2.293675 -0.049285
C 2.411237 -2.653567 1.044561
C -2.543904 1.449892 0.894825
C 1.094720 -2.768288 0.299617
C -3.895949 0.896779 0.500158
C 0.327272 -1.615100 0.003551
C 0.595759 -4.039809 -0.077035
C -4.828140 1.718828 -0.183041
C -4.248165 -0.443203 0.794678
C -0.917697 -1.724968 -0.655549
C -0.655039 -4.156597 -0.726427
C -6.089926 1.212180 -0.562023
C -5.513109 -0.953058 0.420850
C -1.414639 -2.999584 -1.017078
C -6.437175 -0.126085 -0.257718
H 1.187892 4.280753 -1.124533
H 2.076970 3.042945 0.808257
H 3.367588 3.755970 -0.172670
H 3.887719 1.511909 -1.179699
H 2.575337 0.755928 -0.263474
H 4.987158 2.215270 0.976017
H 3.699315 1.423948 1.906101
H 5.338018 -0.181502 -0.135814
H 0.692421 1.264544 -1.577597
H -0.311876 2.603914 -2.166155
H 2.628954 2.278934 -2.993559
H 3.148849 3.963950 -2.698282
H 1.575964 3.632178 -3.484496
H 4.946231 -2.073700 1.439461
H 3.995980 -0.990193 2.521744
H 6.973829 -0.763067 1.727667
H 7.022239 0.975422 1.319647
H 6.170573 0.431468 2.791114
H -0.660215 3.336201 0.285343
H 0.089960 1.773168 0.772954
H 3.058603 -3.532384 0.829007
H 2.231980 -2.633844 2.145853
H -2.029453 0.770182 1.608448
H -2.650562 2.445678 1.381011
H 0.723301 -0.632187 0.276840
H 1.186604 -4.941184 0.131280
H -4.555119 2.753010 -0.423957
H -3.528163 -1.091378 1.309039
H -1.483606 -0.814794 -0.884971
H -1.028886 -5.146070 -1.014127
H -6.802395 1.855749 -1.090477
H -5.774445 -1.990891 0.656405
H -2.380524 -3.086745 -1.527752
H -7.418196 -0.519256 -0.547916


