%chk=000099703.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099703

0 1
 O    2.102000       2.163100     -0.3121000    
 O    3.416600       1.298100      -1.961500    
 O   -2.947200      0.1355000      -1.257200    
 O   -3.318700       1.222300      0.8058000    
 O   -3.297300      -2.079900      -1.569800    
 C    1.657500      0.2244000      0.9852000    
 C   0.4821000     -0.7758000       1.262100    
 C    2.598000     -0.1443000     -0.1805000    
 C    1.228400       1.663800      0.7078000    
 C    1.070800      -2.203200       1.090200    
 C    2.019200      -1.231700      -1.088300    
 C    1.609400      -2.487000     -0.3180000    
 C  -0.7569000     -0.5055000      0.3860000    
 C    2.758700       1.151400     -0.9411000    
 C   3.1099999E-02 -0.6243000       2.736100    
 C    3.991700     -0.5444000      0.3350000    
 C  -0.1750000       1.866700      0.2403000    
 C   -1.072000      0.8819000      9.7700000E-02
 C   -1.566900      -1.462800     -9.8800004E-02
 C   -2.479800       1.149500     -0.3458000    
 C   -2.683300      -1.172700      -1.019400    
 C   -4.668300       1.474800      0.4465000    
 H    2.272600      0.2569000       1.897800    
 H    1.383000       2.274900       1.605000    
 H   0.3496000      -2.980300       1.372100    
 H    1.899500      -2.327900       1.801500    
 H    2.735600      -1.507400      -1.873100    
 H    1.149900     -0.8382000      -1.631100    
 H    2.467800      -3.164800     -0.2327000    
 H   0.8609000      -3.032100     -0.9051000    
 H  -0.3294000      0.3878000       2.952600    
 H  -0.7781000      -1.323700       2.977800    
 H   0.8569000     -0.8308000       3.426900    
 H    3.949700      -1.416300      0.9948000    
 H    4.665000     -0.7861000     -0.4958000    
 H    4.458600      0.2750000      0.8947000    
 H  -0.4695000       2.891300      2.3700001E-02
 H   -1.404600      -2.514200      0.1073000    
 H   -2.531300       2.104800     -0.8831000    
 H   -5.102300      0.6205000     -8.1400000E-02
 H   -4.749100       2.379900     -0.1636000    
 H   -5.240700       1.628600       1.365600    


%chk=000099703-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099703

0 1
O 2.117692 2.267204 -0.277661
O 3.611963 1.447315 -1.844766
O -3.021729 -0.049791 -1.273376
O -3.311522 1.253605 0.731050
O -3.415039 -2.311065 -1.357637
C 1.658215 0.239821 1.030794
C 0.511888 -0.807182 1.285636
C 2.626174 -0.110246 -0.154315
C 1.178217 1.698461 0.758458
C 1.136375 -2.214567 1.069224
C 1.981499 -1.138564 -1.125255
C 1.617511 -2.457576 -0.391507
C -0.720398 -0.573068 0.399895
C 2.860389 1.226862 -0.882536
C 0.025499 -0.668527 2.762884
C 4.015629 -0.609415 0.329870
C -0.216738 1.849830 0.218684
C -1.077330 0.807269 0.051052
C -1.555051 -1.586344 -0.005376
C -2.487785 1.061353 -0.440040
C -2.722739 -1.384968 -0.882145
C -4.696644 1.657656 0.409898
H 2.262514 0.256279 1.957464
H 1.313800 2.350842 1.639401
H 0.427095 -3.005092 1.377768
H 1.991072 -2.295514 1.769620
H 2.675369 -1.336597 -1.962014
H 1.069844 -0.698314 -1.571606
H 2.487879 -3.139508 -0.374788
H 0.831665 -2.972055 -0.973913
H -0.386258 0.336547 2.965020
H -0.767103 -1.405284 2.982233
H 0.867604 -0.848057 3.457214
H 3.932843 -1.580643 0.846454
H 4.692853 -0.727115 -0.533956
H 4.478540 0.111354 1.028559
H -0.519038 2.869871 -0.049336
H -1.371240 -2.631052 0.257001
H -2.553656 1.932258 -1.122449
H -5.216240 0.864599 -0.155266
H -4.703451 2.597924 -0.177764
H -5.185967 1.819295 1.381624


