%chk=000080750.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080750

0 1
 O    5.726500      -3.182100     -0.8983000    
 O    5.557300       3.327700      0.4368000    
 O   -4.361400       2.766900     -0.1668000    
 O   -2.634900       1.882600      -1.351700    
 N    4.091900     -8.9999996E-03 -2.8200001E-02
 N   -1.442200     -0.3160000      0.7625000    
 N   -2.011200     -0.6119000     -0.3136000    
 C    4.925800      -1.179700      0.1593000    
 C    4.710700       1.245100     -0.4089000    
 C    2.697700     -8.6199999E-02  0.1709000    
 C    4.877400      -2.056100      -1.080700    
 C    4.917800       2.116100      0.8184000    
 C    1.904900       1.049000      1.3000000E-03
 C    2.111500      -1.297800      0.5373000    
 C   0.5261000      0.9727000      0.1984000    
 C   0.7327000      -1.374000      0.7342000    
 C  -5.3100001E-02 -0.2384000      0.5637000    
 C   -3.395600     -0.6896000     -0.1149000    
 C   -4.207000      0.4332000     -0.2785000    
 C   -3.960800      -1.911100      0.2513000    
 C   -5.583600      0.3343000     -7.5900003E-02
 C   -5.337400      -2.010000      0.4537000    
 C   -6.148700     -0.8874000      0.2901000    
 C   -3.644200       1.721800     -0.6602000    
 H    4.683900      -1.737500       1.072100    
 H    5.969100     -0.8761000      0.3234000    
 H    4.166500       1.769300      -1.203900    
 H    5.692600       1.056100     -0.8646000    
 H    5.236300      -1.506200      -1.957400    
 H    3.873500      -2.421200      -1.314500    
 H    5.563200       1.612900       1.546300    
 H    3.985500       2.369900       1.330400    
 H    2.297600       2.018800     -0.2834000    
 H    2.670600      -2.214400      0.6878000    
 H  -8.3600000E-02   1.862500      6.7100003E-02
 H   0.2832000      -2.321100       1.020900    
 H    5.388500      -3.682000     -0.1357000    
 H    4.968700       3.784000     -0.1885000    
 H   -3.337800      -2.792500      0.3804000    
 H   -6.244800       1.186600     -0.2080000    
 H   -5.777600      -2.961400      0.7377000    
 H   -7.220900     -0.9656000      0.4449000    
 H   -3.976300       3.630300     -0.4288000    


%chk=000080750-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080750

0 1
O 6.288401 -2.505606 1.722692
O 5.776734 2.788395 -2.129047
O -3.974611 -0.281165 3.098370
O -2.743822 1.398106 2.075535
N 4.121721 -0.000272 -0.144649
N -1.533803 -0.449351 0.187897
N -2.269015 0.022663 -0.792313
C 4.984708 -0.544459 0.921535
C 4.812931 0.664138 -1.266775
C 2.728146 -0.101658 -0.086786
C 5.311206 -2.048265 0.727329
C 4.942953 2.197798 -1.075082
C 1.894882 0.504361 -1.091150
C 2.073629 -0.807654 0.976943
C 0.502966 0.403862 -1.038202
C 0.677057 -0.893600 1.028906
C -0.135976 -0.299436 0.026068
C -3.669653 -0.057847 -0.551986
C -4.287296 0.013535 0.740117
C -4.480680 -0.234069 -1.703930
C -5.687440 -0.183004 0.841368
C -5.872549 -0.411304 -1.586362
C -6.478474 -0.402209 -0.306906
C -3.549927 0.445674 1.965649
H 4.520194 -0.379096 1.912646
H 5.939795 0.010392 0.926228
H 4.300673 0.439631 -2.221864
H 5.832448 0.247707 -1.353780
H 5.806974 -2.204450 -0.244931
H 4.385341 -2.658278 0.747764
H 5.479095 2.416496 -0.136841
H 3.943403 2.675325 -1.023652
H 2.345865 1.069206 -1.911851
H 2.656520 -1.293891 1.763680
H -0.124132 0.873002 -1.802840
H 0.178332 -1.428406 1.844002
H 5.855786 -2.568003 2.611201
H 5.273842 2.807468 -2.981738
H -3.982432 -0.259695 -2.678249
H -6.151989 -0.142842 1.831308
H -6.481651 -0.562606 -2.484032
H -7.559343 -0.545053 -0.205087
H -3.512409 0.096960 3.895215


