%chk=000070872.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070872

0 1
 O    4.700500      -1.039100      6.4400002E-02
 O   -4.676900      -1.067200     -6.4199999E-02
 N    4.345300      -3.511900      5.4299999E-02
 N   -4.306900      -3.537900     -5.4200001E-02
 C   2.4999999E-03   2.084400      9.9999997E-05
 C    1.244100       1.258800      1.7300000E-02
 C   -1.295600       1.210200     -1.7899999E-02
 C  -0.1546000       3.052900      -1.232400    
 C   3.3399999E-02   3.057100       1.231200    
 C    1.476300      0.3697000       1.066600    
 C   -1.461200      0.3609000      -1.066400    
 C    2.173600       1.375800      -1.016100    
 C   -2.164600       1.362800       1.016400    
 C    2.637800     -0.4024000       1.082700    
 C   -2.618200     -0.4181000      -1.082400    
 C    3.335300      0.6038000      -1.000200    
 C   -3.321500      0.5839000       1.000400    
 C    3.567400     -0.2853000      4.9300000E-02
 C   -3.548300     -0.3066000     -4.8999999E-02
 C    4.505900      -2.362400      6.1000001E-02
 C   -4.474500      -2.389200     -6.0800001E-02
 H   0.6548000       3.792800      -1.262200    
 H  -0.1542000       2.522900      -2.191900    
 H   -1.098400       3.610600      -1.177100    
 H   0.9409000       3.675000       1.199800    
 H  -0.8155000       3.751800       1.235700    
 H   5.7100002E-02   2.530600       2.192500    
 H   0.7666000      0.2595000       1.882100    
 H  -0.7444000      0.2618000      -1.873800    
 H    2.042900       2.051400      -1.854200    
 H   -2.043200       2.030600       1.857400    
 H    2.807800      -1.083200       1.912700    
 H   -2.783700      -1.100200      -1.912200    
 H    4.056200      0.6991000      -1.807800    
 H   -4.042600      0.6737000       1.808500    


%chk=000070872-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000070872

0 1
O 4.793014 -1.116432 -0.345271
O -4.783775 -1.189618 0.357235
N 5.373346 -2.962184 1.272013
N -5.345680 -3.038399 -1.263060
C -0.021190 2.131795 -0.003048
C 1.244814 1.246202 -0.132211
C -1.274342 1.229423 0.129687
C -0.233233 3.045316 -1.246551
C 0.179052 3.052522 1.237205
C 1.469183 0.219546 0.824324
C -1.488941 0.202236 -0.828811
C 2.225839 1.444220 -1.136619
C -2.252000 1.408555 1.140904
C 2.625918 -0.585310 0.794475
C -2.632577 -0.620731 -0.794327
C 3.393755 0.651263 -1.191589
C -3.407077 0.597268 1.200535
C 3.568382 -0.345594 -0.221628
C -3.572286 -0.399101 0.228520
C 5.055091 -2.076940 0.528286
C -5.036349 -2.150839 -0.518331
H 0.592618 3.771656 -1.356636
H -0.313543 2.459272 -2.179301
H -1.170037 3.617454 -1.128919
H 1.106554 3.638787 1.115861
H -0.658138 3.765924 1.346663
H 0.270858 2.470436 2.171389
H 0.719664 0.033263 1.601589
H -0.741502 0.029848 -1.611325
H 2.092332 2.219969 -1.895733
H -2.126185 2.184079 1.901605
H 2.782974 -1.375185 1.537221
H -2.781872 -1.410530 -1.538746
H 4.152224 0.798343 -1.965489
H -4.162795 0.730085 1.979682


