%chk=000157867.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157867

0 1
 O    3.469100       2.532100     -0.4779000    
 O    3.695900     -0.6209000     -0.4226000    
 O    3.646600      -2.307100      -2.004600    
 O   -5.937800     -0.9850000     -0.2880000    
 O   -6.797100      0.9210000      -1.249700    
 C    1.855500      0.7854000      0.3877000    
 C    2.108200       2.054300     -0.5066000    
 C   0.2975000      0.7331000      0.6624000    
 C  -0.3005000     -0.6110000       1.251200    
 C    2.271000     -0.5106000     -0.3705000    
 C   0.2190000      -1.809500      0.3870000    
 C    1.088300       3.167900     -0.4491000    
 C  -0.2039000       2.012000       1.387300    
 C    3.009700       2.051800      -1.738800    
 C    1.744100      -1.799800      0.2554000    
 C   0.4819000       3.301600      0.9336000    
 C    2.680300      0.9185000       1.695200    
 C   -1.849800     -0.5502000       1.129700    
 C   1.4000000E-03 -0.8281000       2.750100    
 C  -0.2206000      -3.199800      0.8708000    
 C   -2.256000     -0.4463000     -0.3261000    
 C    4.176900      -1.716400      -1.074700    
 C   -3.740200     -0.3649000     -0.4530000    
 C   -4.620000      -1.455200      1.4700000E-02
 C    5.483200      -2.153800     -0.5194000    
 C   -4.447600      0.6347000     -0.9726000    
 C   -5.855100      0.2462000     -0.8715000    
 H  -8.9800000E-02  0.8125000     -0.3573000    
 H    1.890100     -0.4488000      -1.399500    
 H  -0.1227000      -1.712000     -0.6470000    
 H   0.3004000       2.974100      -1.187200    
 H    1.546200       4.124800     -0.7298000    
 H  -9.1700003E-02   1.935400       2.472400    
 H   -1.276600       2.131900       1.197100    
 H    3.448600       1.143400      -2.121500    
 H    2.823200       2.785900      -2.515000    
 H    2.223000      -1.974400       1.226600    
 H    2.021800      -2.674100     -0.3427000    
 H  -0.2412000       4.125600      0.9495000    
 H    1.265400       3.574800       1.650100    
 H    3.740600       1.101200       1.486900    
 H    2.343800       1.747000       2.322500    
 H    2.651100      1.4500000E-02   2.302600    
 H   -2.258500      0.2861000       1.709300    
 H   -2.292300      -1.446500       1.580700    
 H    1.047700      -1.059900       2.945700    
 H  -0.2717000      3.8199998E-02   3.358000    
 H  -0.5767000      -1.668700       3.152200    
 H   0.1288000      -3.973400      0.1772000    
 H   0.1924000      -3.439200       1.855600    
 H   -1.308900      -3.289800      0.9187000    
 H   -1.975400      -1.324200     -0.9125000    
 H   -1.855900      0.4326000     -0.8327000    
 H   -4.443700      -2.391600     -0.5227000    
 H   -4.554700      -1.625800       1.092600    
 H    5.366700      -2.419400      0.5344000    
 H    6.220100      -1.354500     -0.6327000    
 H    5.840300      -3.034300      -1.061300    
 H   -4.089500       1.559000      -1.391900    


%chk=000157867-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000157867

0 1
O 3.721998 2.328390 -0.397899
O 3.833265 -0.823400 -0.059159
O 3.947718 -1.935944 -2.109225
O -6.275817 -0.848056 -0.097792
O -7.202726 1.104541 -1.014749
C 1.911509 0.642949 0.468837
C 2.276675 1.850341 -0.477842
C 0.324938 0.633453 0.570783
C -0.353258 -0.658337 1.193722
C 2.340783 -0.702941 -0.184657
C 0.182327 -1.913015 0.409323
C 1.282556 3.016630 -0.526242
C -0.228812 1.950871 1.201193
C 3.181751 1.730562 -1.670931
C 1.727088 -1.958078 0.445271
C 0.588532 3.217934 0.829627
C 2.635507 0.837007 1.832815
C -1.914029 -0.549879 1.042319
C -0.101490 -0.819077 2.721449
C -0.392076 -3.273478 0.869307
C -2.477088 -0.394917 -0.401210
C 4.512544 -1.491682 -1.080661
C -3.977518 -0.267767 -0.421955
C -4.902253 -1.346131 0.121983
C 5.988353 -1.573332 -0.761687
C -4.745734 0.753687 -0.896894
C -6.188693 0.451017 -0.721577
H -0.003342 0.629183 -0.493357
H 2.092733 -0.699906 -1.264384
H -0.105839 -1.776142 -0.656822
H 0.521637 2.824848 -1.310685
H 1.839652 3.921473 -0.830182
H -0.286047 1.861957 2.301020
H -1.269334 2.087950 0.849453
H 3.631978 0.777735 -1.960909
H 3.051826 2.447887 -2.494047
H 2.089390 -2.083580 1.482450
H 2.081258 -2.836906 -0.125917
H -0.078252 4.099504 0.797173
H 1.355750 3.433284 1.595714
H 3.652831 1.216602 1.651043
H 2.102730 1.551218 2.481821
H 2.731318 -0.113128 2.382960
H -2.274393 0.299055 1.653458
H -2.355627 -1.456704 1.498883
H 0.949399 -1.040424 2.961182
H -0.382638 0.093098 3.276346
H -0.716721 -1.642696 3.127448
H -0.012040 -4.081014 0.216715
H -0.088268 -3.516302 1.903620
H -1.495549 -3.306989 0.823401
H -2.180255 -1.278087 -1.003336
H -2.038218 0.490958 -0.893937
H -4.790485 -2.308948 -0.411780
H -4.770785 -1.519168 1.206205
H 6.144073 -2.155337 0.163534
H 6.391670 -0.561760 -0.582025
H 6.524711 -2.050852 -1.594088
H -4.408313 1.682239 -1.356807


