%chk=000094792.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094792

0 1
 O    8.544200       1.032600     -0.2328000    
 O    4.609700      -1.958100     -4.6500001E-02
 N    6.032700     -0.1484000      0.2546000    
 C   -2.832900     -0.4719000     -2.4499999E-02
 C   -1.513200      0.3034000      3.9999999E-02
 C   -4.072000      0.4245000      3.1800002E-02
 C  -0.2364000     -0.5401000     -3.9400000E-02
 C   -5.355900     -0.4074000     -1.1700000E-02
 C    1.048500      0.2807000      9.4200000E-02
 C   -6.631700      0.4362000      6.7400001E-02
 C    2.288800     -0.6164000      1.9700000E-02
 C   -7.950700     -0.3416000      3.5000001E-03
 C    3.586800      0.1686000      0.1805000    
 C   -9.226100      0.5065000      1.3800000E-02
 C    4.782500     -0.7480000      0.1197000    
 C    6.269500       1.262200      0.5791000    
 C    7.245700     -0.9645000      0.2025000    
 C    7.362000       1.833000     -0.3163000    
 C    8.293300     -0.3020000     -0.6807000    
 C   -10.50480     -0.3185000     -0.1321000    
 C   -11.74010      0.5691000     -0.1229000    
 H   -2.863100      -1.187800      0.8062000    
 H   -2.853700      -1.060700     -0.9498000    
 H   -1.494700      0.8795000      0.9740000    
 H   -1.496500       1.037900     -0.7751000    
 H   -4.058200       1.126400     -0.8105000    
 H   -4.052000       1.020900      0.9517000    
 H  -0.2642000      -1.298200      0.7530000    
 H  -0.2266000      -1.080900     -0.9938000    
 H   -5.354200      -1.124300      0.8188000    
 H   -5.374800     -0.9959000     -0.9373000    
 H    1.089400       1.033000     -0.7023000    
 H    1.041300      0.8192000       1.049500    
 H   -6.618900       1.165000     -0.7530000    
 H   -6.614800       1.018400      0.9973000    
 H    2.292200      -1.145800     -0.9418000    
 H    2.222800      -1.384000      0.8016000    
 H   -7.985300      -1.044100      0.8458000    
 H   -7.945700     -0.9531000     -0.9078000    
 H    3.666800      0.9115000     -0.6208000    
 H    3.581700      0.6825000       1.148000    
 H   -9.264300       1.080100      0.9481000    
 H   -9.173300       1.236700     -0.8033000    
 H    5.365700       1.867000      0.4924000    
 H    6.591400       1.285900       1.627000    
 H    7.612900      -1.041600       1.232700    
 H    7.026800      -1.974600     -0.1565000    
 H    7.034300       1.885000      -1.361400    
 H    7.619500       2.847000      5.1000002E-03
 H    7.975000     -0.2774000      -1.729700    
 H    9.235000     -0.8572000     -0.6287000    
 H   -10.47560     -0.8871000      -1.068600    
 H   -10.57370      -1.043700      0.6869000    
 H   -12.64410     -3.9000001E-02 -0.2276000    
 H   -11.81400       1.129000      0.8149000    
 H   -11.71480       1.285400     -0.9503000    


%chk=000094792-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094792

0 1
O 8.613129 1.138494 -0.332865
O 4.807029 -1.979992 -0.252793
N 6.113837 -0.144134 0.303033
C -2.833870 -0.514907 -0.018357
C -1.517167 0.291177 0.050633
C -4.098107 0.373609 0.001826
C -0.253179 -0.597065 0.019357
C -5.415453 -0.433117 -0.045337
C 1.062776 0.206297 0.125318
C -6.679374 0.455924 -0.028345
C 2.320437 -0.688066 0.063911
C -7.997299 -0.350578 -0.064643
C 3.622351 0.122095 0.223533
C -9.260979 0.538898 -0.048511
C 4.878158 -0.752345 0.072439
C 6.340899 1.267096 0.674094
C 7.357731 -0.940827 0.200004
C 7.360589 1.906650 -0.295588
C 8.342918 -0.250495 -0.759171
C -10.579331 -0.267920 -0.082986
C -11.835966 0.629332 -0.065939
H -2.872133 -1.225367 0.833945
H -2.836452 -1.135341 -0.939018
H -1.512319 0.903676 0.976933
H -1.482179 1.008899 -0.795882
H -4.066978 1.074801 -0.858503
H -4.088115 1.003929 0.915923
H -0.299934 -1.331043 0.850745
H -0.244886 -1.191538 -0.917885
H -5.447441 -1.131487 0.817224
H -5.425054 -1.066496 -0.957182
H 1.099913 0.954784 -0.694725
H 1.058979 0.784399 1.074035
H -6.650881 1.149887 -0.894614
H -6.665962 1.094070 0.880235
H 2.350939 -1.239260 -0.894027
H 2.274166 -1.461379 0.854163
H -8.026217 -1.043471 0.802503
H -8.010796 -0.989823 -0.972428
H 3.648274 0.933374 -0.534195
H 3.630063 0.623273 1.213106
H -9.248413 1.178908 0.858791
H -9.234262 1.231194 -0.916221
H 5.396928 1.833319 0.647835
H 6.747201 1.315180 1.705747
H 7.819641 -1.029143 1.204215
H 7.081142 -1.947121 -0.156996
H 6.920908 1.963574 -1.315819
H 7.644094 2.917683 0.041288
H 7.930156 -0.250463 -1.790873
H 9.324010 -0.752389 -0.752990
H -10.590902 -0.906658 -0.989898
H -10.605004 -0.959760 0.783773
H -12.764534 0.029666 -0.093198
H -11.863467 1.254311 0.846813
H -11.847413 1.310583 -0.937831


