%chk=000107885.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000107885

0 1
 O   7.8000002E-02  -2.082100     -0.3380000    
 O  -1.6400000E-02   2.531400       1.212000    
 O    5.980200       1.474100     -0.2093000    
 O    4.316900       2.462900      -1.428300    
 C    2.015200      -1.373200       1.001800    
 C    1.518800      -2.165000     -0.2463000    
 C    1.575400      0.1119000      0.9709000    
 C    3.513400      -1.479100       1.345700    
 C   0.1682000      0.2358000      0.4276000    
 C    4.438500     -0.6414000      0.4621000    
 C    2.568300       1.020700      0.2802000    
 C  -0.4824000     -0.8454000     -0.1757000    
 C    1.800100      -3.669100     -6.6000000E-02
 C    2.085700      -1.750000      -1.612600    
 C    3.841900      0.6678000      5.5700000E-02
 C  -0.5344000       1.445500      0.5705000    
 C   -1.802800     -0.7208000     -0.6219000    
 C   -2.481100      0.4881000     -0.4838000    
 C   -1.846500       1.572500      0.1127000    
 C    4.706000       1.639400     -0.6207000    
 C   -3.889000      0.6134000     -0.9588000    
 C   -4.951100      0.2460000      9.3900003E-02
 C   -6.380300      0.3238000     -0.4523000    
 C   -7.402400     -7.2400004E-02  0.6139000    
 C   -8.820500     -3.4699999E-02  6.6900000E-02
 H    1.478800      -1.819400       1.855800    
 H    1.535500      0.4477000       2.018500    
 H    3.852100      -2.520100       1.354400    
 H    3.636500      -1.128500       2.380800    
 H    4.715800      -1.208100     -0.4325000    
 H    5.367100     -0.4905000       1.026000    
 H    2.226400       2.007900     -2.0300001E-02
 H    1.396900      -4.030700      0.8868000    
 H    1.302200      -4.254900     -0.8484000    
 H    2.868900      -3.899200     -0.1032000    
 H    1.579600      -2.301100      -2.415500    
 H    1.911700     -0.6934000      -1.833400    
 H    3.153500      -1.959200      -1.701200    
 H   -2.299100      -1.575200      -1.077200    
 H   -2.384900       2.509400      0.2363000    
 H   -4.067200       1.639100      -1.308400    
 H   -4.026800     -1.8300001E-02  -1.846600    
 H   -4.852200      0.9146000      0.9585000    
 H   -4.759300     -0.7702000      0.4616000    
 H  -0.6622000       3.258100       1.209400    
 H   -6.584900       1.343000     -0.8012000    
 H   -6.475800     -0.3411000      -1.319200    
 H    6.592400       2.107600     -0.6410000    
 H   -7.327800      0.6063000       1.471400    
 H   -7.186800      -1.083000      0.9799000    
 H   -8.936500     -0.7293000     -0.7712000    
 H   -9.534800     -0.3197000      0.8455000    
 H   -9.079900      0.9703000     -0.2810000    


%chk=000107885-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000107885

0 1
O 0.159119 -2.194826 -0.382289
O 0.028587 2.419107 1.162466
O 6.082913 1.303420 -0.575325
O 4.404939 2.887057 -0.829825
C 2.043130 -1.426922 1.017260
C 1.673010 -2.198601 -0.289766
C 1.556885 0.049622 0.986100
C 3.531937 -1.476065 1.451168
C 0.158450 0.157338 0.381372
C 4.500799 -0.623950 0.595947
C 2.563496 0.994275 0.348236
C -0.474370 -0.951654 -0.236799
C 2.008238 -3.693628 -0.179076
C 2.187343 -1.610775 -1.620306
C 3.888005 0.702963 0.184992
C -0.608853 1.342635 0.504684
C -1.804876 -0.875937 -0.716401
C -2.543250 0.319635 -0.592763
C -1.930113 1.441798 0.023036
C 4.746493 1.742145 -0.439568
C -3.982232 0.402692 -1.080452
C -5.021556 0.208113 0.058809
C -6.480025 0.299113 -0.441864
C -7.522923 0.110911 0.683584
C -8.978675 0.200348 0.176411
H 1.459793 -1.945373 1.806110
H 1.466721 0.392512 2.042073
H 3.889059 -2.521464 1.491129
H 3.569647 -1.097897 2.492440
H 4.828651 -1.171088 -0.309378
H 5.431258 -0.439081 1.164059
H 2.195325 1.981619 0.045258
H 1.649576 -4.109721 0.778788
H 1.516976 -4.244386 -0.999477
H 3.096937 -3.859689 -0.253421
H 1.791671 -2.217838 -2.453522
H 1.854097 -0.570383 -1.765421
H 3.288081 -1.629320 -1.671360
H -2.239375 -1.761743 -1.190161
H -2.486530 2.383792 0.121340
H -4.164240 1.386502 -1.558189
H -4.158873 -0.366095 -1.857429
H -4.849441 0.971541 0.844567
H -4.851252 -0.776111 0.539450
H -0.576902 3.198507 1.220803
H -6.641879 1.283431 -0.930120
H -6.647812 -0.467348 -1.227524
H 6.607313 2.035238 -0.999254
H -7.355413 0.877530 1.467643
H -7.358898 -0.871777 1.170859
H -9.181684 -0.576750 -0.584589
H -9.703825 0.064397 0.999803
H -9.176554 1.184384 -0.289307


