%chk=000047483.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047483

0 1
 O   -5.392700      -1.473500      0.4258000    
 N   0.2536000      0.2365000      -1.295700    
 N    3.857400     -0.3939000      0.7499000    
 N   -7.192800     -0.1655000       1.001200    
 C    1.475600      2.2600001E-02 -0.6019000    
 C    1.895400      -1.282000     -0.3229000    
 C    2.247900       1.118700     -0.2045000    
 C    3.109600      -1.446100      0.3648000    
 C    3.448400      0.8606000      0.4785000    
 C   -1.064400      0.4091000     -0.8529000    
 C    1.139300      -2.401900     -0.7107000    
 C    1.850400       2.440400     -0.4717000    
 C    3.533000      -2.742600      0.6455000    
 C    4.221800       1.947800      0.8769000    
 C   -3.698300      0.7514000      3.1099999E-02
 C   -1.359600      0.3848000      0.5151000    
 C   -2.099100      0.6058000      -1.774400    
 C    1.584700      -3.687400     -0.4180000    
 C    2.641600       3.509800     -6.2700003E-02
 C   -2.672100      0.5555000      0.9556000    
 C   -3.411600      0.7762000      -1.333900    
 C    2.784100      -3.857700      0.2615000    
 C    3.829700       3.262400      0.6131000    
 C   -5.101600      0.9341000      0.5018000    
 C   -5.880400     -0.3650000      0.6282000    
 H   0.3758000      0.2705000      -2.303500    
 H   0.1993000      -2.304800      -1.247600    
 H   0.9298000       2.669300      -1.002200    
 H    4.469500      -2.902300       1.176900    
 H    5.157200       1.780000       1.408000    
 H  -0.5807000      0.2333000       1.257800    
 H   -1.891400      0.6270000      -2.841400    
 H   -2.882800      0.5319000       2.021600    
 H   -4.202500      0.9257000      -2.064300    
 H   0.9996000      -4.550700     -0.7195000    
 H    2.333000       4.529500     -0.2712000    
 H    3.140900      -4.856600      0.4947000    
 H    4.454700       4.089600      0.9365000    
 H   -5.108600       1.434600       1.478700    
 H   -5.643000       1.598400     -0.1841000    
 H   -7.574700      0.7604000       1.166300    
 H   -7.825500     -0.9490000       1.123800    


%chk=000047483-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047483

0 1
O -5.864065 -1.089062 -1.283080
N 0.233464 0.786899 -1.057889
N 4.018052 -0.368889 0.645631
N -7.487124 -0.692443 0.317473
C 1.448787 0.386171 -0.460943
C 1.691430 -0.964276 -0.042920
C 2.507341 1.348215 -0.343612
C 2.993287 -1.274491 0.542233
C 3.789714 0.903533 0.190775
C -1.094331 0.599334 -0.592583
C 0.751284 -2.036928 -0.232070
C 2.357114 2.732732 -0.703748
C 3.247476 -2.615574 1.000143
C 4.873759 1.846495 0.270587
C -3.817091 0.346218 0.259159
C -1.397171 0.148224 0.718476
C -2.167233 0.924304 -1.468872
C 1.044656 -3.328441 0.197857
C 3.426979 3.620597 -0.603787
C -2.742341 0.022481 1.122337
C -3.503025 0.801055 -1.047050
C 2.296223 -3.617795 0.840850
C 4.703453 3.169415 -0.126278
C -5.251463 0.238233 0.740010
C -6.194897 -0.574688 -0.178911
H 0.323997 1.458621 -1.823064
H -0.200976 -1.834798 -0.728908
H 1.380260 3.110585 -1.027278
H 4.223681 -2.806420 1.456192
H 5.825898 1.474501 0.661073
H -0.593179 -0.093181 1.419363
H -1.948449 1.257406 -2.491379
H -2.954162 -0.329584 2.139780
H -4.310146 1.034065 -1.748221
H 0.320255 -4.133935 0.036322
H 3.291793 4.673459 -0.874249
H 2.504041 -4.636165 1.187376
H 5.536779 3.877368 -0.059854
H -5.273816 -0.221552 1.746854
H -5.699804 1.247840 0.854106
H -7.770261 -0.285715 1.207457
H -8.169689 -1.216913 -0.229156


