%chk=000115571.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115571

0 1
 O   6.1600000E-02 -0.4005000       2.249700    
 O   0.8286000     -0.9199000      -2.438000    
 O    4.251300     -5.2999998E-03  0.4563000    
 N    2.129700     -0.1684000       1.317400    
 N    2.504600     -0.3869000     -0.9831000    
 C   0.1706000     -0.2876000     -0.1840000    
 C   -1.080500      -1.202200     -0.3403000    
 C  -0.4741000       1.100200     -0.4726000    
 C   -2.242600     -0.4247000      0.3101000    
 C   -1.853400       1.058300      0.2043000    
 C   0.3339000       2.326700     -6.1099999E-02
 C   -3.588200     -0.7189000     -0.3441000    
 C  -0.9155000      -2.619800      0.2018000    
 C   0.7549000     -0.3182000       1.235500    
 C    1.172900     -0.5840000      -1.304000    
 C  -0.3956000       3.612800     -0.4021000    
 C   -4.701000      0.1026000      0.2798000    
 C    3.042900     -0.1644000      0.2745000    
 H   -1.311400      -1.309800      -1.409800    
 H  -0.6505000       1.177000      -1.556900    
 H   -2.318300     -0.6883000       1.373100    
 H   -2.559200       1.653300     -0.3834000    
 H   -1.818500       1.493200       1.210700    
 H    1.300400       2.322800     -0.5774000    
 H   0.5427000       2.323700       1.014400    
 H   -3.825800      -1.783300     -0.2333000    
 H   -3.550100     -0.5107000      -1.420100    
 H   -1.794100      -3.226600     -4.0899999E-02
 H  -4.2399999E-02  -3.106700     -0.2444000    
 H  -0.7974000      -2.639400       1.288900    
 H  -0.6556000       3.652100      -1.464900    
 H   -1.312100       3.731100      0.1836000    
 H   0.2444000       4.473800     -0.1830000    
 H   -4.731200     -3.2200001E-02   1.365900    
 H   -4.608700       1.170800      6.7199998E-02
 H   -5.667700     -0.2208000     -0.1212000    
 H    2.517900     -9.0400003E-02   2.253400    
 H    3.169900     -0.4767000      -1.746100    


%chk=000115571-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115571

0 1
O 0.047941 0.095440 2.242120
O 0.904917 -0.383917 -2.534998
O 4.249091 -1.013284 0.622198
N 2.106590 -0.455028 1.376629
N 2.529253 -0.690229 -0.929281
C 0.185548 -0.099444 -0.208864
C -1.038759 -1.097808 -0.350787
C -0.524834 1.288417 -0.499438
C -2.245425 -0.355329 0.301249
C -1.925512 1.168309 0.168337
C 0.290163 2.535546 -0.094612
C -3.593925 -0.779405 -0.329252
C -0.785007 -2.516206 0.190696
C 0.741949 -0.136135 1.215350
C 1.207362 -0.393335 -1.311604
C -0.376023 3.848863 -0.560999
C -4.818575 -0.224345 0.430340
C 3.048449 -0.739963 0.375078
H -1.214000 -1.154800 -1.445151
H -0.653579 1.296452 -1.601134
H -2.265286 -0.612573 1.377768
H -2.685618 1.692824 -0.440359
H -1.910083 1.643775 1.164743
H 1.308475 2.476202 -0.532430
H 0.409867 2.556443 1.006710
H -3.658262 -1.886574 -0.354712
H -3.623274 -0.440152 -1.385829
H -1.670663 -3.153576 0.017363
H 0.070492 -3.004925 -0.312717
H -0.593527 -2.503882 1.279479
H -0.503170 3.861647 -1.659809
H -1.373391 3.976917 -0.102688
H 0.237044 4.724502 -0.280995
H -4.830647 -0.585194 1.476072
H -4.805968 0.881026 0.459268
H -5.764350 -0.538020 -0.048069
H 2.460157 -0.478922 2.339121
H 3.194978 -0.890618 -1.682890


