%chk=000086755.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086755

0 1
 O  -0.5092000     -0.4822000     -0.1709000    
 O    2.023800      -2.409300       1.055500    
 O   -1.792000      0.1268000       1.646500    
 C    1.912400     -0.4342000     -0.3995000    
 C   0.6642000      0.1484000      0.3506000    
 C   0.4817000       1.693500      0.3385000    
 C    1.919000      -1.984800     -0.2978000    
 C    3.243100      6.4199999E-02  0.1890000    
 C    1.859000     -4.5400001E-02  -1.892900    
 C    1.690600       2.364300       1.010900    
 C   0.3213000       2.302400      -1.060300    
 C   -1.678200     -0.1695000      0.4643000    
 C   -2.829400     -0.2573000     -0.5223000    
 C   -3.390000      -1.674400     -0.5341000    
 C   -3.916300      0.7576000     -0.1776000    
 H   0.7511000     -0.1532000       1.404000    
 H  -0.4065000       1.967700      0.9169000    
 H    2.774300      -2.408000     -0.8369000    
 H    1.018300      -2.429600     -0.7353000    
 H    3.234600      7.6499999E-02   1.282900    
 H    4.059100     -0.6127000     -9.8499998E-02
 H    3.560000       1.032000     -0.1997000    
 H    2.501900     -0.7218000      -2.472300    
 H   0.8579000     -0.1473000      -2.321700    
 H    2.263000      0.9455000      -2.098500    
 H    2.030200       1.825900       1.899700    
 H    1.371900       3.352100       1.370700    
 H    2.518100       2.580100      0.3353000    
 H    1.262400       2.539800      -1.557700    
 H  -0.3150000       1.696300      -1.710100    
 H  -0.1886000       3.269500     -0.9579000    
 H   -2.447000     -6.0000001E-03  -1.519500    
 H    1.156400      -2.278800       1.473800    
 H   -4.205200      -1.767000      -1.259000    
 H   -3.774100      -1.958400      0.4521000    
 H   -2.612900      -2.398000     -0.8036000    
 H   -4.716000      0.7406000     -0.9252000    
 H   -3.502600       1.771600     -0.1452000    
 H   -4.362000      0.5516000      0.8018000    


%chk=000086755-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000086755

0 1
O -0.701949 0.444650 -0.395453
O 1.202154 -1.896801 1.512110
O -1.387406 -0.869766 1.411481
C 1.667610 -0.341965 -0.446621
C 0.681648 0.680548 0.206718
C 0.870424 2.224408 0.119975
C 1.287870 -1.780384 0.061160
C 3.119999 -0.054513 0.014447
C 1.596944 -0.386195 -1.995491
C 1.836620 2.764414 1.206798
C 1.211503 2.795395 -1.275238
C -1.627159 -0.308237 0.306909
C -2.955856 -0.403967 -0.437578
C -3.008471 -1.768030 -1.183814
C -4.138231 -0.257847 0.547860
H 0.608429 0.421319 1.281541
H -0.135546 2.613461 0.384897
H 2.093041 -2.470943 -0.249114
H 0.345374 -2.114149 -0.425113
H 3.202713 -0.092622 1.115128
H 3.791789 -0.830573 -0.398349
H 3.483368 0.923773 -0.343673
H 2.128349 -1.285190 -2.363519
H 0.552144 -0.435297 -2.349201
H 2.075879 0.491912 -2.457652
H 1.566919 2.387107 2.210858
H 1.780930 3.868440 1.234925
H 2.886361 2.489036 1.013296
H 2.247309 2.556074 -1.576978
H 0.524911 2.408267 -2.048086
H 1.119719 3.897350 -1.257660
H -2.977570 0.409496 -1.184570
H 0.281978 -1.615098 1.783905
H -3.952286 -1.843797 -1.752556
H -2.969242 -2.604510 -0.463402
H -2.168922 -1.874599 -1.894271
H -5.095353 -0.375919 0.008989
H -4.138841 0.732072 1.038180
H -4.077851 -1.028820 1.335163


