%chk=000156658.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156658

0 1
 O    2.046300      -3.041200      0.2448000    
 N   -1.546900     -3.3000000E-02 -0.7289000    
 N   0.2009000       2.117900     -0.5032000    
 N   -5.760900       1.347100       2.024200    
 C   -2.497000      -1.118400     -0.8575000    
 C   -3.929700     -0.5922000     -0.6978000    
 C   -4.148200      0.1227000      0.6414000    
 C  -0.2091000     -0.2189000     -0.4302000    
 C   0.6763000      0.8723000     -0.3159000    
 C   -2.305600      -1.773700      -2.221300    
 C    2.032100      0.6312000     -9.6000005E-03
 C    2.494300     -0.6822000      0.1795000    
 C   0.2835000      -1.529600     -0.2349000    
 C   -5.564500      0.6889000      0.7378000    
 C    1.620100      -1.759600      6.6600002E-02
 C    2.890300       1.733900      9.8200001E-02
 C    3.918000      -1.021000      0.5053000    
 C    2.403100       3.018700     -9.4200000E-02
 C    4.350200       1.648400      0.4165000    
 C    1.062100       3.154900     -0.3903000    
 C    1.984700      -3.566400       1.569300    
 H   -2.359600      -1.861800     -6.3100003E-02
 H   -4.638100      -1.425400     -0.7868000    
 H   -4.157400      0.1068000      -1.513500    
 H   -1.844100      0.9058000     -0.9726000    
 H   -3.969500     -0.5846000       1.461000    
 H   -3.429600      0.9422000      0.7606000    
 H   -3.020100      -2.593300      -2.354900    
 H   -1.304200      -2.188500      -2.364200    
 H   -2.472600      -1.052900      -3.030500    
 H  -0.3557000      -2.404600     -0.3026000    
 H   -5.742600       1.412200     -6.5099999E-02
 H   -6.303900     -0.1118000      0.6297000    
 H    4.603300     -0.7224000     -0.2884000    
 H    4.200700     -0.6797000       1.502700    
 H    4.095500      -2.101600      0.5521000    
 H    3.029900       3.900900     -2.1299999E-02
 H    4.545000       1.245700       1.411000    
 H    4.926900       1.183900     -0.3849000    
 H    4.781100       2.658700      0.4760000    
 H   0.6246000       4.134800     -0.5513000    
 H   -5.070300       2.088200       2.138600    
 H   -5.586300      0.6836000       2.778300    
 H   0.9414000      -3.706700       1.869300    
 H    2.491100      -2.908900       2.283200    
 H    2.483600      -4.539400       1.575400    


%chk=000156658-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000156658

0 1
O 2.379458 -2.936068 0.841932
N -1.406015 -0.155542 -0.644223
N 0.161034 1.967077 -0.710573
N -5.814757 1.509360 2.104573
C -2.449285 -1.183866 -0.735679
C -3.840327 -0.512536 -0.617879
C -4.111613 0.143550 0.754674
C -0.088997 -0.364020 -0.291312
C 0.784109 0.799036 -0.312639
C -2.331865 -2.012689 -2.042904
C 2.188452 0.690460 0.061964
C 2.715073 -0.597232 0.458552
C 0.447923 -1.605354 0.088890
C -5.490260 0.856184 0.819916
C 1.819802 -1.695995 0.455580
C 2.940866 1.940940 -0.006882
C 4.157229 -0.868323 0.868724
C 2.272188 3.106429 -0.418209
C 4.414212 2.091356 0.340403
C 0.892656 3.091921 -0.761707
C 1.521578 -4.118209 0.862889
H -2.331407 -1.872922 0.129364
H -4.614173 -1.278777 -0.823474
H -3.936073 0.247912 -1.422985
H -1.601356 0.815595 -0.920063
H -4.066520 -0.629913 1.550118
H -3.311856 0.875553 0.984866
H -3.053406 -2.851175 -2.044409
H -1.314958 -2.427654 -2.159846
H -2.539106 -1.374267 -2.921249
H -0.186839 -2.493242 0.101421
H -5.540375 1.625512 0.024137
H -6.293393 0.126619 0.595150
H 4.869701 -0.677875 0.045629
H 4.471599 -0.257819 1.732858
H 4.261511 -1.924693 1.154495
H 2.823234 4.051457 -0.476266
H 4.617622 1.845268 1.397009
H 5.058483 1.441449 -0.275276
H 4.732757 3.134672 0.173619
H 0.380973 4.006751 -1.081801
H -5.188994 2.286340 2.342014
H -5.911143 0.855880 2.888928
H 1.116054 -4.346013 -0.142468
H 0.687071 -4.004840 1.582416
H 2.178234 -4.939297 1.188226


