%chk=000047823.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047823

0 1
 O   -10.33270     -0.5916000       1.064700    
 O   -8.830000      -2.088900      0.2569000    
 N    2.029700      0.4275000      -1.358700    
 N    5.190000     -0.9775000       1.009300    
 C   -4.349600      0.7021000     -0.2280000    
 C   -5.789700       1.059700      0.1602000    
 C   -3.338700       1.860200     -0.1259000    
 C   -6.740300     -0.1421000      0.1420000    
 C   -1.932100       1.484800     -0.4488000    
 C    3.101400     -4.8799999E-02 -0.5557000    
 C   -8.146500      0.2212000      0.6226000    
 C   0.7082000      0.7800000      -1.054900    
 C    3.976400      0.8624000      4.4399999E-02
 C    3.271700      -1.424900     -0.3725000    
 C   -1.468200       1.580900      -1.760700    
 C   -1.080200       1.037400      0.5611000    
 C  -0.1524000       1.229700      -2.062700    
 C   0.2354000      0.6861000      0.2590000    
 C    5.021400      0.3468000      0.8296000    
 C    4.344300      -1.850900      0.4290000    
 C    3.828800       2.250400     -0.1225000    
 C    2.407600      -2.363000     -0.9634000    
 C    5.895800       1.248900       1.429700    
 C    4.519100      -3.219700      0.6152000    
 C   -9.104000     -0.9500000      0.6081000    
 C    4.716400       3.131100      0.4883000    
 C    2.604000      -3.725900     -0.7616000    
 C    5.752000       2.628900       1.266000    
 C    3.662200      -4.154700      2.9400000E-02
 H   -4.344900      0.3099000      -1.253200    
 H   -4.007300     -0.1204000      0.4139000    
 H   -6.165000       1.833200     -0.5206000    
 H   -5.785300       1.497100       1.166200    
 H   -3.661300       2.676100     -0.7862000    
 H   -3.377300       2.281500      0.8874000    
 H   -6.791400     -0.5515000     -0.8745000    
 H   -6.335500     -0.9387000      0.7787000    
 H   -8.094800      0.6003000       1.649400    
 H   -8.562800       1.003400     -2.2200000E-02
 H   -2.122700       1.926000      -2.556800    
 H   -1.430400      0.9561000       1.586700    
 H    2.286700      0.5273000      -2.336500    
 H   0.1946000       1.309400      -3.090000    
 H   0.8763000      0.3404000       1.065900    
 H    3.033100       2.676700     -0.7279000    
 H    1.573100      -2.062300      -1.591700    
 H    6.715500      0.8801000       2.043900    
 H    5.341000      -3.580800       1.230800    
 H    4.601100       4.202600      0.3570000    
 H    1.935900      -4.448500      -1.220000    
 H    6.450500       3.307400       1.746900    
 H    3.824700      -5.216000      0.1932000    
 H   -10.95620      -1.348800       1.068200    


%chk=000047823-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047823

0 1
O -10.588112 0.199946 1.062281
O -9.127601 -1.580822 0.772221
N 1.888718 -0.239662 -1.420592
N 5.427478 -0.847485 0.962099
C -4.405540 0.814496 -0.070729
C -5.828920 1.343792 0.211264
C -3.361481 1.952316 -0.248286
C -6.861493 0.208970 0.386420
C -1.965438 1.426623 -0.544299
C 3.020149 -0.414938 -0.596136
C -8.278478 0.749037 0.657355
C 0.631584 0.341426 -1.096795
C 3.587692 0.653081 0.176808
C 3.675775 -1.693216 -0.595341
C -1.537834 1.189708 -1.876041
C -1.062001 1.103690 0.501180
C -0.260645 0.663669 -2.155240
C 0.213497 0.563233 0.242723
C 4.781854 0.362742 0.967453
C 4.900575 -1.843703 0.182170
C 3.088694 2.002568 0.163256
C 3.169297 -2.838750 -1.303655
C 5.355395 1.410315 1.772356
C 5.590699 -3.106724 0.156419
C -9.313445 -0.345836 0.825313
C 3.685952 2.995304 0.936216
C 3.859450 -4.049705 -1.298775
C 4.819181 2.693492 1.765954
C 5.091779 -4.181182 -0.573463
H -4.415497 0.186464 -0.984345
H -4.082018 0.151936 0.757141
H -6.143002 2.008280 -0.621397
H -5.810530 1.976193 1.123966
H -3.698890 2.616000 -1.069336
H -3.349119 2.567393 0.673425
H -6.878110 -0.427592 -0.518940
H -6.555455 -0.453596 1.218451
H -8.298993 1.376347 1.570430
H -8.617276 1.411403 -0.163652
H -2.209859 1.432145 -2.708731
H -1.364726 1.270913 1.542476
H 1.903966 -0.762108 -2.298886
H 0.055325 0.512057 -3.195091
H 0.879054 0.308117 1.072823
H 2.232961 2.253008 -0.468777
H 2.206608 -2.778255 -1.824660
H 6.235569 1.149154 2.367819
H 6.513839 -3.177727 0.739734
H 3.294038 4.017836 0.906414
H 3.452833 -4.913586 -1.835860
H 5.268574 3.483293 2.378047
H 5.625701 -5.137731 -0.583514
H -11.244177 -0.541729 1.169029


