%chk=000131640.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131640

0 1
 O    2.302200      -2.110500      0.3767000    
 O    6.093400     -0.2760000      -1.690700    
 N   -1.690200     -0.9077000       1.426600    
 N    1.674100      0.6913000       1.215800    
 N    4.654100       1.163400     -0.5636000    
 N    4.207400      -1.214900     -0.6669000    
 N    2.962400       2.434200      0.6936000    
 C   -2.834600     -0.9918000      0.5170000    
 C  -0.6089000     -0.1397000      0.8223000    
 C   0.5696000     -4.1800000E-02   1.786800    
 C   -3.352200      0.4251000      0.2090000    
 C    2.715100      0.1921000      0.4869000    
 C   -2.395000      -1.741100     -0.7410000    
 C   -1.230400      -2.249800       1.788400    
 C    3.488000       1.278800      0.1806000    
 C   -4.784600      0.4552000     -0.2677000    
 C    1.867200       2.045300       1.313300    
 C    3.007800      -1.147200      9.0300001E-02
 C    5.065000     -0.1124000      -1.024400    
 C   -5.050800      0.3580000      -1.624300    
 C   -5.806700      0.5791000      0.6599000    
 C    5.450200       2.345700     -0.8687000    
 C    4.614200      -2.537200      -1.131100    
 C   -6.374000      0.3856000      -2.064900    
 C   -7.129800      0.6065000      0.2191000    
 C   -7.413400      0.5098000      -1.143200    
 H   -3.635000      -1.558600       1.010800    
 H  -0.9162000      0.8871000      0.5965000    
 H  -0.2347000     -0.5764000     -0.1101000    
 H   0.9687000      -1.008300       2.103800    
 H   0.2696000      0.4859000       2.701500    
 H   -2.731400      0.9283000     -0.5444000    
 H   -3.293700       1.054600       1.108800    
 H   -1.955300      -2.724600     -0.5567000    
 H   -1.724700      -1.166700      -1.387600    
 H   -3.280900      -1.948600      -1.354300    
 H   -2.073200      -2.928000       1.971500    
 H  -0.6930000      -2.217600       2.743100    
 H  -0.5686000      -2.714000       1.048600    
 H    1.181100       2.692200       1.842900    
 H   -4.249200      0.2639000      -2.351000    
 H   -5.596400      0.6522000       1.723100    
 H    4.835100       3.051000      -1.435900    
 H    6.334800       2.095200      -1.459500    
 H    5.771800       2.808800      6.9300003E-02
 H    3.920500      -3.325000     -0.8291000    
 H    5.608200      -2.757600     -0.7289000    
 H    4.684700      -2.517500      -2.223300    
 H   -6.594900      0.3109000      -3.125600    
 H   -7.939400      0.7024000      0.9367000    
 H   -8.443700      0.5311000      -1.486100    


%chk=000131640-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131640

0 1
O 2.502988 -2.004263 0.978800
O 6.589862 -0.538734 -0.863352
N -1.515367 -1.170130 0.769957
N 1.602294 0.984258 0.757947
N 4.921626 1.080071 -0.538059
N 4.545057 -1.235303 0.048701
N 3.008887 2.586457 -0.083168
C -2.870867 -1.065999 0.154727
C -0.438847 -0.368308 0.158413
C 0.378607 0.335368 1.276554
C -3.467027 0.356390 0.392959
C 2.797829 0.335247 0.405318
C -2.926436 -1.477637 -1.341389
C -1.099904 -2.554753 1.085379
C 3.633964 1.347273 -0.098943
C -4.952476 0.448919 0.074857
C 1.780291 2.319523 0.439777
C 3.201729 -1.042231 0.524085
C 5.424155 -0.240645 -0.477119
C -5.418580 1.074940 -1.109512
C -5.910298 -0.110984 0.961689
C 5.774104 2.164889 -1.062577
C 5.106590 -2.605018 0.103914
C -6.800012 1.138396 -1.404527
C -7.291283 -0.051431 0.672152
C -7.742033 0.573555 -0.514538
H -3.503430 -1.774729 0.727083
H -0.862553 0.399076 -0.514573
H 0.256302 -0.990851 -0.447731
H 0.676543 -0.413134 2.027558
H -0.242367 1.102209 1.769757
H -2.910653 1.095811 -0.216247
H -3.285337 0.599023 1.457372
H -2.523722 -2.496245 -1.488807
H -2.338635 -0.781477 -1.969582
H -3.967072 -1.467039 -1.710444
H -1.824187 -3.010713 1.784477
H -0.107051 -2.548146 1.567053
H -1.019886 -3.212002 0.186492
H 1.008983 3.067823 0.606510
H -4.693188 1.517579 -1.803718
H -5.569626 -0.586921 1.890261
H 5.290764 2.636766 -1.934203
H 6.736345 1.719792 -1.353949
H 5.927738 2.933509 -0.286761
H 4.331520 -3.259760 0.527851
H 6.011254 -2.617490 0.733376
H 5.386728 -2.939643 -0.908184
H -7.140224 1.628975 -2.323706
H -8.015473 -0.485045 1.371401
H -8.813324 0.623483 -0.739430


