%chk=000121153.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121153

1 1
 O  -0.6348000      -1.971600     -0.8150000    
 N    3.029400      0.5330000     -3.1700000E-02
 N  -0.7643000      0.2524000     -0.1253000    
 C    4.082500      0.3647000       1.083000    
 C    3.363000     -0.5394000      -1.089100    
 C    4.735100     -0.9730000      0.7957000    
 C    4.748700      -1.028300     -0.7161000    
 C    1.628600      0.3141000      0.5191000    
 C    3.117800       1.925800     -0.6363000    
 C   0.6069000      0.5014000     -0.5869000    
 C   -1.219100      -1.083000     -0.1871000    
 C   -1.515000       1.355600      0.3253000    
 C   -2.458900      -1.420800      0.6425000    
 C   -2.862800       1.440100      0.3174000    
 C   -3.646200     -0.8433000     -6.2300000E-02
 C  -0.7441000       2.566200      0.8078000    
 C   -3.818300      0.4795000     -0.2023000    
 C   -2.616700      -2.930200      0.8332000    
 C   -5.031700       1.056700     -0.8718000    
 H    3.597200      0.4077000       2.062900    
 H    4.808500       1.180700      0.9991000    
 H    3.308900     -0.1095000      -2.093700    
 H    2.646000      -1.362200     -0.9921000    
 H    4.129300      -1.790000       1.205200    
 H    5.737800      -1.043500       1.226500    
 H    5.513300     -0.3533000      -1.118600    
 H    4.948100      -2.034000      -1.096700    
 H    1.590600     -0.6993000      0.9375000    
 H    1.496200       1.018700       1.343300    
 H    2.544700       1.973700      -1.564800    
 H    2.757900       2.650700      9.9500000E-02
 H    4.166800       2.126200     -0.8780000    
 H   0.6329000       1.482400      -1.063900    
 H   0.8038000     -0.1971000      -1.407700    
 H   -2.349300     -0.9826000       1.642800    
 H   -3.326800       2.358700      0.6763000    
 H   -4.395000      -1.524900     -0.4584000    
 H  -0.1346000       3.024100      2.5200000E-02
 H  -0.1211000       2.314100       1.669300    
 H   -1.417400       3.359200       1.156700    
 H   -2.739700      -3.452000     -0.1230000    
 H   -1.733600      -3.351100       1.326600    
 H   -3.489600      -3.156900       1.455400    
 H   -4.739900       1.678300      -1.725300    
 H   -5.603600       1.674800     -0.1712000    
 H   -5.703400      0.2771000      -1.247300    


%chk=000121153-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121153

1 1
O 0.047949 -1.521027 -0.366305
N 3.073806 0.594449 -0.179420
N -0.730739 0.595615 0.180343
C 4.166305 0.215182 0.873298
C 2.989411 -0.647123 -1.146024
C 4.320462 -1.309149 0.762754
C 4.171080 -1.553220 -0.756610
C 1.732104 0.815633 0.547810
C 3.479434 1.852979 -0.931365
C 0.538947 1.094895 -0.403850
C -0.883063 -0.808042 0.133700
C -1.725196 1.540642 0.626979
C -2.192487 -1.363245 0.692186
C -3.060850 1.416285 0.316193
C -3.275887 -0.961016 -0.302617
C -1.202253 2.712655 1.439840
C -3.703693 0.335218 -0.440153
C -2.119373 -2.882255 0.921845
C -4.884594 0.708704 -1.319840
H 3.848692 0.584893 1.860388
H 5.094728 0.729774 0.574261
H 3.024678 -0.278340 -2.182769
H 2.016324 -1.134752 -0.955040
H 3.530365 -1.836305 1.326463
H 5.294763 -1.638758 1.157819
H 5.097490 -1.274126 -1.290690
H 3.946947 -2.604624 -0.996623
H 1.538239 -0.109156 1.112883
H 1.885914 1.649736 1.254728
H 2.694758 2.120648 -1.654393
H 3.624634 2.675818 -0.213107
H 4.419995 1.660970 -1.469971
H 0.434933 2.168808 -0.615599
H 0.688785 0.564358 -1.361787
H -2.391457 -0.837476 1.650588
H -3.708373 2.240418 0.644378
H -3.730224 -1.765099 -0.895315
H -0.509556 3.365489 0.873522
H -0.669937 2.363843 2.345610
H -2.039590 3.347659 1.768996
H -1.860375 -3.409207 -0.011840
H -1.354617 -3.140548 1.674258
H -3.095188 -3.253794 1.279409
H -4.588850 1.413687 -2.118929
H -5.673876 1.208932 -0.726244
H -5.332460 -0.180130 -1.794058


