%chk=000017827.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017827

0 1
 O   -4.313500      0.5815000     -0.1656000    
 N  -0.9271000     -0.8063000      0.1949000    
 C   0.3654000     -0.3564000     -0.2627000    
 C   0.6762000       1.040800      0.2801000    
 C    1.452300      -1.360600      0.1286000    
 C    2.062900       1.514200     -0.1476000    
 C    2.838400     -0.8837000     -0.2973000    
 C    3.144600      0.5108000      0.2417000    
 C   -1.971000      0.1043000     -0.2450000    
 C   -3.328100     -0.3446000      0.2729000    
 H   0.3568000     -0.3047000      -1.361000    
 H   0.6138000       1.047700       1.376200    
 H  -1.7800000E-02   1.800300     -9.1399997E-02
 H    1.251800      -2.336200     -0.3314000    
 H    1.446800      -1.516100       1.215700    
 H    2.280100       2.485200      0.3119000    
 H    2.079600       1.664400      -1.234200    
 H    2.900100     -0.8731000      -1.392500    
 H    3.596700      -1.590600      5.7900000E-02
 H    4.115200      0.8484000     -0.1389000    
 H    3.226700      0.4691000       1.334800    
 H   -1.118200      -1.744800     -0.1547000    
 H   -2.001300      0.1733000      -1.339700    
 H   -1.843400       1.121300      0.1360000    
 H   -3.348500     -0.3675000       1.367300    
 H   -3.596700      -1.339200     -9.8600000E-02
 H   -4.315500      0.5701000      -1.137900    


%chk=000017827-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000017827

0 1
O -4.591650 0.330307 -0.232341
N -0.958292 -0.636696 0.197378
C 0.385765 -0.217155 -0.276297
C 0.805767 1.140564 0.340104
C 1.416124 -1.308750 0.097083
C 2.233793 1.542210 -0.100947
C 2.848166 -0.921801 -0.340354
C 3.265037 0.444888 0.254044
C -2.105791 0.122269 -0.335192
C -3.420305 -0.398772 0.275275
H 0.402208 -0.100684 -1.393890
H 0.757757 1.042463 1.442969
H 0.089638 1.934581 0.053545
H 1.125003 -2.273848 -0.368290
H 1.383469 -1.453780 1.195915
H 2.515970 2.501866 0.373409
H 2.246362 1.712978 -1.197821
H 2.892811 -0.866278 -1.447822
H 3.561664 -1.709611 -0.030483
H 4.270558 0.730069 -0.111872
H 3.336191 0.356071 1.357771
H -1.089300 -1.650141 0.059810
H -2.178926 0.076840 -1.456747
H -1.998022 1.188204 -0.067256
H -3.426399 -0.231098 1.363097
H -3.523792 -1.491940 0.087698
H -4.617507 0.244843 -1.219284


