%chk=000049674.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049674

0 1
 O   0.6266000      4.4700000E-02 -0.3068000    
 O    2.245400       3.699800      0.4606000    
 O   -5.642900     -0.1023000     -0.4025000    
 N    1.031000      -2.533200      0.1449000    
 C    2.135900      -2.259700     -0.7755000    
 C    2.765100     -0.9340000     -0.4963000    
 C    1.986000      0.2003000     -0.2658000    
 C    2.595200       1.424200     -8.7000001E-03
 C    1.509000      -2.543200       1.526400    
 C   0.3952000      -3.807300     -0.1865000    
 C    4.156400     -0.8381000     -0.4681000    
 C  -0.1736000       1.152100     -8.5900001E-02
 C   0.2736000       2.395700      0.1814000    
 C    1.749800       2.603500      0.2320000    
 C    3.988800       1.524800      1.9800000E-02
 C    4.767000      0.3896000     -0.2104000    
 C   0.3599000      -2.827000       2.474600    
 C  -0.1504000      -3.766400      -1.601000    
 C   -1.603300      0.8237000     -0.1690000    
 C  -0.5650000       3.612200      0.4483000    
 C   -2.271200      0.9175000      -1.390000    
 C   -2.293500      0.4185000      0.9737000    
 C   -3.628700      0.6063000      -1.468400    
 C   -3.650900      0.1071000      0.8952000    
 C   -4.318600      0.2011000     -0.3258000    
 C   -6.286900     -0.5098000      0.8038000    
 H    1.797300      -2.197000      -1.815600    
 H    2.882400      -3.064100     -0.7283000    
 H    2.299300      -3.289700       1.678600    
 H    1.921200      -1.573500       1.823700    
 H    1.080600      -4.656300     -7.1999997E-02
 H  -0.4746000      -3.993400      0.4511000    
 H    4.780000      -1.710100     -0.6463000    
 H    4.483300       2.471400      0.2187000    
 H    5.850600      0.4620000     -0.1893000    
 H  -0.5196000      -2.213700       2.249900    
 H   7.0699997E-02  -3.882500       2.485100    
 H   0.6665000      -2.585100       3.499000    
 H  -0.7168000      -2.848700      -1.795800    
 H   0.6327000      -3.871300      -2.358200    
 H  -0.8371000      -4.607400      -1.751800    
 H  -0.3511000       4.389000     -0.2935000    
 H  -0.3439000       4.013500       1.443100    
 H   -1.639400       3.413500      0.4100000    
 H   -1.746900       1.231300      -2.289400    
 H   -1.785200      0.3398000       1.931900    
 H   -4.143500      0.6812000      -2.422400    
 H   -4.125100     -0.2012000       1.820700    
 H   -5.863800      -1.443200       1.190300    
 H   -7.334800     -0.7113000      0.5587000    
 H   -6.281700      0.2897000       1.552600    


%chk=000049674-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049674

0 1
O 0.565302 0.281538 -0.437683
O 2.494297 3.918914 0.098159
O -5.751901 0.126197 -0.358217
N 0.978307 -2.672686 0.489960
C 1.866282 -2.255754 -0.638347
C 2.621495 -0.955471 -0.413149
C 1.957825 0.299461 -0.328209
C 2.650754 1.523303 -0.163203
C 1.727031 -2.809653 1.772102
C 0.241516 -3.923639 0.147749
C 4.029786 -0.932785 -0.339134
C -0.190906 1.463558 -0.285798
C 0.419893 2.696181 -0.089505
C 1.895804 2.797766 -0.054614
C 4.068520 1.499907 -0.090124
C 4.754954 0.279352 -0.180217
C 0.809478 -2.879850 3.007452
C -0.699562 -3.793748 -1.065442
C -1.628434 1.124233 -0.314192
C -0.338455 3.982345 0.157159
C -2.627648 2.023826 -0.787668
C -2.038264 -0.163575 0.132123
C -3.982470 1.659157 -0.792371
C -3.396552 -0.536067 0.139377
C -4.376736 0.381370 -0.319393
C -6.217217 -1.181588 0.114560
H 1.224591 -2.138034 -1.529301
H 2.617586 -3.054096 -0.873264
H 2.404621 -3.703975 1.752018
H 2.376779 -1.922240 1.870950
H 0.957219 -4.771033 -0.029307
H -0.362059 -4.199986 1.030205
H 4.571489 -1.883879 -0.407097
H 4.585259 2.456354 0.038133
H 5.848223 0.254837 -0.127658
H 0.116261 -2.019918 3.011194
H 0.211706 -3.808070 3.044452
H 1.416805 -2.842327 3.930400
H -1.353174 -2.910438 -0.958889
H -0.153360 -3.702193 -2.020731
H -1.337283 -4.693871 -1.139334
H -0.598571 4.495096 -0.788913
H 0.321597 4.671020 0.710793
H -1.267686 3.817789 0.727975
H -2.344167 3.001277 -1.184886
H -1.273423 -0.871425 0.472927
H -4.752881 2.341204 -1.163749
H -3.677686 -1.529022 0.503010
H -5.792931 -2.002898 -0.494572
H -7.309916 -1.156370 -0.005240
H -5.961100 -1.337095 1.180311


