%chk=000090119.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090119

0 1
 O  -0.1663000      0.9149000      4.2500000E-02
 N    2.204000       3.484800      0.4034000    
 N   -2.850400     -1.8800000E-02 -5.8800001E-02
 C    1.253600      0.6984000      9.6799999E-02
 C    1.877500       1.520000      -1.053900    
 C    1.765000       1.274500       1.435800    
 C    1.661400       3.025300     -0.8735000    
 C    1.578100       2.792300       1.527400    
 C    1.494600     -0.8092000      3.0800000E-02
 C  -0.7257000      0.3991000      -1.157300    
 C   -2.222500      0.6580000      -1.169800    
 C    2.234700      -1.350300      -1.019600    
 C   0.9746000      -1.641400       1.021200    
 C    2.454900      -2.726400      -1.079900    
 C    1.195100      -3.017500      0.9609000    
 C   -4.296500      0.2365000     -3.2299999E-02
 C   -2.602800      -1.465600     -0.1123000    
 C    1.935200      -3.559900     -8.9800000E-02
 C   -4.562700       1.728500      2.2900000E-02
 C   -3.201500      -2.143200       1.105200    
 H    2.965400       1.352100      -1.056600    
 H    1.550600       1.231500      -2.056300    
 H    1.227700      0.8341000       2.284400    
 H    2.827800       1.030300       1.567100    
 H    2.170100       3.562400      -1.681800    
 H   0.5986000       3.282900     -0.9499000    
 H   0.5124000       3.046800       1.575000    
 H    2.024800       3.156000       2.459500    
 H    3.207900       3.303800      0.4213000    
 H  -0.3628000      0.9694000      -2.017200    
 H  -0.4896000     -0.6452000      -1.369600    
 H   -2.645500      0.3454000      -2.133000    
 H   -2.338100       1.744000      -1.087100    
 H    2.657700     -0.7472000      -1.815000    
 H   0.3829000      -1.243100       1.840500    
 H    3.030100      -3.149700      -1.898200    
 H   0.7865000      -3.667100       1.729500    
 H   -4.751100     -0.1797000      0.8721000    
 H   -4.807500     -0.2008000     -0.8992000    
 H   -1.541100      -1.702200     -7.0200004E-02
 H   -3.004600      -1.915800      -1.028600    
 H    2.105400      -4.631400     -0.1375000    
 H   -5.612800       1.901500      0.2857000    
 H   -4.404000       2.220600     -0.9418000    
 H   -3.953900       2.226800      0.7856000    
 H   -2.807800      -3.163200       1.185500    
 H   -4.289800      -2.239800       1.042500    
 H   -2.939900      -1.623200       2.033400    


%chk=000090119-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000090119

0 1
O -0.203252 1.171112 -0.246064
N 2.259962 3.668966 -0.222496
N -2.934292 -0.292636 -0.352333
C 1.241051 0.850989 -0.058352
C 2.066185 1.366201 -1.271887
C 1.614266 1.669541 1.213400
C 1.905073 2.902248 -1.442239
C 1.501410 3.198475 0.965176
C 1.422753 -0.652866 0.230098
C -0.849127 0.626569 -1.448056
C -2.364881 0.754735 -1.240321
C 2.658560 -1.317479 0.018014
C 0.353186 -1.382390 0.815010
C 2.825059 -2.673430 0.382691
C 0.519714 -2.736714 1.177665
C -4.040847 0.216655 0.503510
C -3.290023 -1.520135 -1.115495
C 1.756650 -3.389500 0.967875
C -3.534091 1.079557 1.674865
C -3.400146 -2.782513 -0.240470
H 3.137591 1.143342 -1.105845
H 1.767436 0.832353 -2.195170
H 0.940637 1.359660 2.034596
H 2.647566 1.402339 1.510684
H 2.530366 3.258815 -2.281613
H 0.851903 3.135546 -1.687975
H 0.437957 3.453366 0.808530
H 1.854089 3.754520 1.853343
H 3.276655 3.639695 -0.050765
H -0.546672 1.214868 -2.342250
H -0.557876 -0.431825 -1.607208
H -2.864734 0.752398 -2.241279
H -2.549412 1.749169 -0.796218
H 3.505628 -0.785453 -0.429234
H -0.614121 -0.883303 0.951649
H 3.788457 -3.167785 0.211416
H -0.317027 -3.283699 1.628713
H -4.580355 -0.655058 0.915546
H -4.788628 0.794094 -0.098673
H -2.490000 -1.686408 -1.861992
H -4.238504 -1.377664 -1.696649
H 1.885548 -4.439772 1.253467
H -4.383791 1.442571 2.283409
H -2.965720 1.958259 1.322246
H -2.860880 0.487124 2.318524
H -3.611776 -3.666238 -0.870966
H -4.210607 -2.705948 0.506526
H -2.451242 -2.953151 0.296396


