%chk=000116246.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116246

0 1
 O   0.9110000       2.046300     -0.1757000    
 N  -6.5700002E-02 -8.2699999E-02  2.2399999E-02
 N    4.671200      0.4682000      0.4857000    
 C   -2.373400     -0.8394000      9.3500003E-02
 C   -1.436200      0.1892000     -2.6000000E-03
 C   -3.736700     -0.5456000      6.6399999E-02
 C   -1.862200       1.511700     -0.1257000    
 C   -4.162900      0.7769000     -5.6600001E-02
 C   -1.921100      -2.259900      0.2254000    
 C   -3.225500       1.805500     -0.1525000    
 C   -4.761200      -1.627900      0.1666000    
 C   0.9940000      0.8280000     -6.2399998E-02
 C    2.352900      0.2262000     -3.5799999E-02
 C    2.539200      -1.058900     -0.4821000    
 C    3.411200      0.9554000      0.4338000    
 C    3.821500      -1.595300     -0.4444000    
 C    4.844000     -0.7978000      4.4000000E-02
 H   -1.207600       2.366900     -0.2055000    
 H   -5.220900       1.024100     -7.9599999E-02
 H   -1.286300      -2.534200     -0.6250000    
 H   -1.353200      -2.388200       1.153700    
 H   -2.725000      -2.998200      0.2503000    
 H   0.1722000      -1.058600      0.1606000    
 H   -3.558700       2.835000     -0.2482000    
 H   -4.680600      -2.319900     -0.6782000    
 H   -4.661300      -2.173600       1.110600    
 H   -5.778600      -1.220500      0.1452000    
 H    1.747300      -1.671100     -0.8998000    
 H    3.307100       1.971000      0.8005000    
 H    4.016700      -2.602400     -0.7947000    
 H    5.862600      -1.168500      9.2100002E-02


%chk=000116246-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000116246

0 1
O 0.918796 2.123144 -0.063309
N -0.084046 -0.010448 0.032996
N 4.727898 0.388282 0.561518
C -2.390739 -0.805316 0.108157
C -1.478156 0.293274 -0.009365
C -3.790032 -0.546832 0.060946
C -1.947102 1.623202 -0.166467
C -4.247038 0.786408 -0.101082
C -1.851860 -2.219403 0.280120
C -3.334737 1.856081 -0.212792
C -4.812776 -1.667673 0.181402
C 1.007586 0.857410 -0.026119
C 2.351416 0.172020 -0.020479
C 2.593174 -1.115882 -0.563939
C 3.459149 0.883182 0.516531
C 3.903087 -1.641803 -0.528772
C 4.933113 -0.861765 0.044880
H -1.227949 2.439805 -0.241476
H -5.325164 0.980340 -0.136758
H -1.236490 -2.538133 -0.586934
H -1.229670 -2.319252 1.193214
H -2.664970 -2.953713 0.373783
H 0.143501 -0.996387 0.171194
H -3.703226 2.880487 -0.334214
H -4.707066 -2.416187 -0.626995
H -4.723933 -2.208997 1.142567
H -5.837127 -1.262784 0.124194
H 1.791365 -1.689013 -1.045587
H 3.306010 1.891342 0.915144
H 4.127544 -2.626866 -0.949231
H 5.963241 -1.232822 0.088874


