%chk=000124354.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124354

0 1
 O    1.533800      0.2992000     -0.8108000    
 O    3.427100     -0.8111000       2.029000    
 O    3.638400       2.097400      -1.316200    
 O   -1.433700      -2.563200     -0.9281000    
 O   -4.492900      0.5812000      0.3600000    
 N  -0.6160000     -0.4785000     -0.2957000    
 N   -2.250400       1.201400      0.3924000    
 N   -2.923500     -0.8889000     -0.4390000    
 C   0.7657000     -0.8452000     -0.4056000    
 C    1.355700      -1.335700      0.9039000    
 C    2.799800     -0.9159000      0.7683000    
 C    2.655200      0.4312000      7.8699999E-02
 C  -0.9204000      0.9313000     -0.1248000    
 C    3.885900      0.8409000     -0.7106000    
 C   -1.627200      -1.393400     -0.5908000    
 C   -3.309500      0.3357000      0.1174000    
 C   -2.487900       2.513700      0.9719000    
 H   0.8869000      -1.610700      -1.181300    
 H    1.232500      -2.413900       1.047800    
 H   0.8882000     -0.8484000       1.769600    
 H    3.349500      -1.633700      0.1489000    
 H    2.405600       1.224900      0.7945000    
 H  -0.2059000       1.363100      0.5844000    
 H  -0.8306000       1.429000      -1.096900    
 H    4.109400      0.1247000      -1.508100    
 H    4.761700      0.9335000     -6.1999999E-02
 H    2.936700     -0.1634000       2.563200    
 H   -3.678400      -1.532900     -0.6599000    
 H   -3.509000       2.600100       1.351900    
 H   -2.329700       3.271400      0.1991000    
 H   -1.785200       2.672800       1.794700    
 H    2.854400       2.001000      -1.883500    


%chk=000124354-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124354

0 1
O 1.600479 0.409545 -0.796739
O 3.582656 -0.259622 2.245815
O 3.971563 1.235351 -2.172687
O -1.153965 -2.051795 -1.780656
O -4.645637 0.437115 -0.032770
N -0.632684 -0.290336 -0.294491
N -2.451315 1.036278 0.581662
N -2.812880 -0.531067 -1.130294
C 0.758920 -0.679784 -0.187361
C 1.323283 -0.847581 1.236707
C 2.841305 -0.619038 1.040187
C 2.912938 0.456601 -0.083732
C -1.053642 1.059400 0.125354
C 4.023184 0.227431 -1.114687
C -1.490397 -1.027578 -1.126683
C -3.394460 0.345422 -0.169361
C -2.884631 1.985446 1.614717
H 0.866979 -1.604047 -0.783574
H 1.091110 -1.839539 1.654077
H 0.911976 -0.076894 1.917388
H 3.329815 -1.552788 0.710242
H 3.012004 1.473919 0.347426
H -0.411366 1.394902 0.955576
H -0.922756 1.775161 -0.714089
H 3.932445 -0.799218 -1.531666
H 5.013303 0.337547 -0.640291
H 3.216049 0.583039 2.619341
H -3.478019 -1.047501 -1.710275
H -3.969543 1.861352 1.755079
H -2.688484 3.032498 1.311728
H -2.367225 1.782587 2.570332
H 3.055196 1.210790 -2.553877


