%chk=000108029.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108029

0 1
 O    3.302600       2.129000      0.1700000    
 N   -4.371800       1.007900     -0.2168000    
 N   0.7843000      -2.730300     -0.1514000    
 C   -1.798000     -0.2101000     -0.1002000    
 C   -2.986300     -0.8726000      0.5610000    
 C  -0.5813000     -0.9810000     -0.1032000    
 C   -4.093000      0.1289000      0.9172000    
 C   0.7572000     -0.5023000     -3.9299998E-02
 C   -1.906200       1.035600     -0.5975000    
 C   -3.193600       1.808900     -0.5624000    
 C    1.594000      -1.619900     -7.1099997E-02
 C  -0.5320000      -2.354300     -0.1715000    
 C    1.338800      0.7784000      4.2900000E-02
 C    2.989200      -1.520200     -2.4700001E-02
 C    2.732900      0.8934000      9.0000004E-02
 C    3.543500     -0.2396000      5.6699999E-02
 C    2.419800       3.248300      0.2006000    
 H   -3.395200      -1.633400     -0.1171000    
 H   -2.684600      -1.380300       1.485900    
 H   -5.002800     -0.4210000       1.182100    
 H   -3.809500      0.7209000       1.796900    
 H   -1.079200       1.531300      -1.092800    
 H   -3.085400       2.636800      0.1485000    
 H   -3.365200       2.252100      -1.549400    
 H   -5.146600       1.629700      1.1800000E-02
 H   -1.306300      -3.106700     -0.2365000    
 H    1.114600      -3.684600     -0.1907000    
 H   0.6822000       1.634100      0.1030000    
 H    3.621000      -2.401800     -5.0700001E-02
 H    4.625200     -0.1338000      9.4200000E-02
 H    3.042100       4.147700      0.2554000    
 H    1.791700       3.242500       1.098000    
 H    1.831800       3.325500     -0.7205000    


%chk=000108029-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000108029

0 1
O 3.483957 2.132678 0.076626
N -4.459335 0.984015 -0.248139
N 0.809340 -2.765390 -0.043287
C -1.881156 -0.212504 -0.007670
C -3.131010 -0.961138 0.460381
C -0.611523 -0.961329 -0.013330
C -4.264071 0.011051 0.844787
C 0.770083 -0.476106 -0.027426
C -1.991695 1.087648 -0.420099
C -3.292636 1.861805 -0.462379
C 1.629199 -1.628626 -0.052233
C -0.527088 -2.364453 -0.009821
C 1.364455 0.817644 0.023529
C 3.038263 -1.526716 -0.056645
C 2.771183 0.915126 0.024358
C 3.604614 -0.243258 -0.025721
C 2.698069 3.363254 0.134033
H -3.489274 -1.628143 -0.349561
H -2.882430 -1.599983 1.330838
H -5.207037 -0.545759 0.996667
H -4.000595 0.499348 1.817533
H -1.114882 1.627250 -0.794038
H -3.226177 2.694051 0.290401
H -3.391742 2.350310 -1.453218
H -5.340069 1.506095 -0.173054
H -1.329796 -3.099278 -0.011193
H 1.136795 -3.728022 -0.061041
H 0.740666 1.711075 0.089287
H 3.678921 -2.415123 -0.079299
H 4.688955 -0.098972 -0.028200
H 3.436857 4.177929 0.168868
H 2.063550 3.396897 1.042115
H 2.059508 3.477723 -0.764668


