%chk=000176855.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176855

0 1
 O  -0.5458000      -1.338600     -0.3720000    
 O   -2.323700      -2.791600     -0.3230000    
 O    3.698900       1.000000      0.6800000    
 N   -2.621500     -0.5013000     -0.5420000    
 N  -0.1363000      -3.731000       2.009000    
 C   -4.065800     -0.4840000     -0.6098000    
 C   -4.681900     -0.4043000      0.7911000    
 C   -4.562100      0.6599000      -1.500700    
 C   -4.492400      0.9687000       1.436200    
 C   -4.372700       2.031000     -0.8518000    
 C   -5.003600       2.089200      0.5360000    
 C   -1.875300      -1.652800     -0.4046000    
 C   0.3539000      -2.443900     -0.2317000    
 C    1.776300      -1.938000     -0.2937000    
 C    2.075400     -0.6904000      0.2285000    
 C    2.753200      -2.732200     -0.8711000    
 C    3.388600     -0.2238000      0.1716000    
 C   8.1500001E-02  -3.162200       1.021300    
 C    4.066500      -2.265500     -0.9280000    
 C    4.384100      -1.011200     -0.4068000    
 C    2.855000       2.055500      0.3774000    
 C    2.415600       2.214900     -0.9243000    
 C    2.473500       2.923200       1.384700    
 C    1.565600       3.278100      -1.229100    
 C    1.623500       3.986400       1.079900    
 C    1.169400       4.163800     -0.2271000    
 H   -4.378200      -1.432400      -1.064600    
 H   -4.253800      -1.173800       1.444600    
 H   -5.757100     -0.6131000      0.7190000    
 H   -5.629700      0.5128000      -1.707900    
 H   -4.045000      0.6412000      -2.467600    
 H   -5.021300      0.9987000       2.395600    
 H   -3.430000       1.130900       1.655300    
 H   -3.305000       2.269600     -0.7799000    
 H   -4.822600       2.800700      -1.489500    
 H   -4.790500       3.059900      0.9977000    
 H   -6.094000       2.012700      0.4435000    
 H   -2.120100      0.3816000     -0.5516000    
 H   0.1869000      -3.108400      -1.090100    
 H    1.303400     -9.7199999E-02  0.7110000    
 H    2.516900      -3.711000      -1.278400    
 H    4.841800      -2.878600      -1.378000    
 H    5.408800     -0.6529000     -0.4543000    
 H    2.728100       1.553300      -1.726800    
 H    2.825800       2.786100       2.402500    
 H    1.215900       3.419300      -2.247700    
 H    1.315200       4.676000       1.860200    
 H   0.5083000       4.992100     -0.4645000    


%chk=000176855-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176855

0 1
O -1.022997 -0.396572 0.729930
O -1.896866 -2.445402 -0.087664
O 4.384177 0.907209 -0.470706
N -3.001220 -0.393652 -0.399278
N 0.616700 -0.173576 3.695858
C -4.168012 -0.930029 -1.146343
C -5.131386 -1.717386 -0.216718
C -4.902613 0.239881 -1.845064
C -5.856928 -0.792195 0.786767
C -5.647345 1.162237 -0.845654
C -6.605749 0.350580 0.059314
C -1.995895 -1.197060 0.052505
C 0.136223 -1.182052 1.275088
C 1.325534 -1.122564 0.324867
C 2.277907 -0.079818 0.406599
C 1.445093 -2.127904 -0.667119
C 3.341695 -0.046764 -0.522360
C 0.403340 -0.616613 2.609983
C 2.524629 -2.085650 -1.576545
C 3.476764 -1.046729 -1.511210
C 4.148070 2.242839 -0.046312
C 2.958402 2.944742 -0.350114
C 5.224033 2.876596 0.611576
C 2.851351 4.301448 0.028933
C 5.103369 4.234444 0.979064
C 3.917363 4.951351 0.693754
H -3.767411 -1.625780 -1.908237
H -4.564838 -2.509263 0.305380
H -5.879101 -2.223955 -0.860485
H -5.642055 -0.200856 -2.541486
H -4.188142 0.819834 -2.461442
H -6.563909 -1.383937 1.398566
H -5.116756 -0.358964 1.489881
H -4.921907 1.710085 -0.207198
H -6.206011 1.935748 -1.406009
H -7.093155 1.019895 0.793794
H -7.413936 -0.082354 -0.566310
H -2.946979 0.603273 -0.185491
H -0.206808 -2.230900 1.376109
H 2.203508 0.682983 1.189090
H 0.691763 -2.920583 -0.727238
H 2.625875 -2.863988 -2.339943
H 4.323437 -0.996590 -2.202095
H 2.139164 2.448409 -0.879553
H 6.131142 2.302132 0.821410
H 1.933067 4.851678 -0.204284
H 5.935243 4.729818 1.491461
H 3.825871 6.003353 0.983435


