%chk=000100681.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100681

0 1
 O    4.516600       1.046200     -0.4083000    
 O    4.511600      -1.434100      -1.855500    
 O    6.794700      0.9796000       1.339300    
 O    3.224100      2.5599999E-02   1.210300    
 O   -6.090700       1.900800     -0.2818000    
 O   -5.225800      -2.581800      0.5087000    
 N    5.412000     -3.1599998E-02 -0.2336000    
 N   -5.147700     -0.2517000      5.8200002E-02
 C   0.4504000      0.7223000     -0.5418000    
 C    1.029500       1.749100      0.4422000    
 C   -1.026200      0.4653000     -0.3834000    
 C    2.497300       2.096700      0.1852000    
 C    6.398300      -2.089000     -0.4880000    
 C    7.156200      -1.287700      0.5727000    
 C    5.312300      -1.167100     -0.9729000    
 C    6.457900      4.4100001E-02  0.6302000    
 C   -3.744400     -7.4000000E-03 -9.2299998E-02
 C   -1.455900     -0.5377000      0.4730000    
 C   -1.932600       1.235800      -1.096900    
 C    3.427000      0.9249000      0.4043000    
 C   -2.822700     -0.7754000      0.6194000    
 C   -3.299300      0.9981000     -0.9504000    
 C   -6.139100      0.7006000     -6.8000004E-02
 C   -5.715400      -1.475200      0.3521000    
 C   -7.419400      1.4600000E-02  0.1595000    
 C   -7.169000      -1.265000      0.4180000    
 H   0.9881000     -0.2300000     -0.4481000    
 H   0.6424000       1.057500      -1.570000    
 H   0.9089000       1.377300       1.467600    
 H   0.4435000       2.675100      0.3803000    
 H    2.814600       2.900400      0.8583000    
 H    2.603400       2.454100     -0.8457000    
 H    5.954000      -2.992700     -6.1000001E-02
 H    7.052200      -2.362200      -1.321300    
 H    8.203300      -1.145500      0.2896000    
 H    7.105500      -1.775200       1.550600    
 H  -0.7457000      -1.135200       1.037600    
 H   -1.595600       2.018600      -1.770500    
 H   -3.134000      -1.546800       1.316900    
 H   -3.986900       1.596500      -1.540100    
 H   -8.382800      0.4951000      0.1271000    
 H   -7.888000      -2.038200      0.6311000    


%chk=000100681-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100681

0 1
O 4.609817 1.023198 -0.394673
O 4.717754 -1.444812 -1.910629
O 6.589329 0.904052 1.721685
O 3.150248 -0.145866 1.053810
O -6.084596 2.001960 0.028023
O -5.204671 -2.624388 0.376788
N 5.527311 -0.042979 -0.176479
N -5.215088 -0.234956 0.128003
C 0.425819 0.792906 -0.803566
C 0.989469 1.754550 0.280081
C -1.051537 0.505175 -0.588423
C 2.492809 2.057841 0.093052
C 6.641077 -2.097220 -0.429601
C 7.261977 -1.320143 0.763607
C 5.508705 -1.220049 -0.974556
C 6.469887 -0.014211 0.888009
C -3.816808 0.013943 -0.111636
C -1.468691 -0.513951 0.305333
C -2.051827 1.270243 -1.239083
C 3.360904 0.847233 0.351162
C -2.833948 -0.760148 0.552821
C -3.423034 1.030249 -1.015513
C -6.240818 0.766924 0.177719
C -5.804299 -1.523764 0.355142
C -7.531524 0.041794 0.451156
C -7.277926 -1.288827 0.554632
H 1.000722 -0.152120 -0.777251
H 0.585275 1.243494 -1.802391
H 0.825016 1.314364 1.280860
H 0.431393 2.708982 0.250769
H 2.817841 2.841183 0.807167
H 2.712451 2.446202 -0.917545
H 6.215152 -3.070133 -0.131844
H 7.363060 -2.291307 -1.240954
H 8.327083 -1.076026 0.611010
H 7.185301 -1.867041 1.718309
H -0.714247 -1.125799 0.814226
H -1.757181 2.059155 -1.941719
H -3.132813 -1.556414 1.238499
H -4.177189 1.631720 -1.528317
H -8.476089 0.578303 0.540110
H -7.963512 -2.114516 0.744810


