%chk=000038523.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038523

0 1
 O    2.788800      0.4130000      -1.864000    
 N    1.999700      0.2724000      8.0300003E-02
 N    3.035600      6.9399998E-02 -0.7037000    
 C   -3.238100      -1.254100     -0.2130000    
 C   -3.048900      0.2030000     -0.6605000    
 C   -2.006300      -2.131600     -0.4828000    
 C   -2.697700       1.158200      0.4899000    
 C  -0.8065000      -1.785000      0.3982000    
 C   -1.955800       2.411700      6.5000001E-03
 C   0.4862000      -2.416900     -0.1172000    
 C  -0.4817000       2.164000     -0.3498000    
 C    1.700800      -2.155400      0.7837000    
 C   0.4210000       2.070400      0.8883000    
 C    1.934700     -0.6879000       1.198500    
 C    1.868300       1.668900      0.5457000    
 H   -3.530200      -1.311700      0.8417000    
 H   -4.068500      -1.678700     -0.7914000    
 H   -2.307500      0.2506000      -1.465200    
 H   -3.990000      0.5553000      -1.102800    
 H   -2.275700      -3.181600     -0.3153000    
 H   -1.733200      -2.046100      -1.542000    
 H   -3.635600       1.471200      0.9665000    
 H   -2.121700      0.6569000       1.272300    
 H  -0.6705000     -0.7053000      0.4132000    
 H   -1.002500      -2.104300       1.428300    
 H   -2.472800       2.813700     -0.8735000    
 H   -2.013800       3.184500      0.7824000    
 H   0.3525000      -3.501300     -0.2150000    
 H   0.6966000      -2.038200      -1.125000    
 H  -0.3835000       1.267900     -0.9698000    
 H  -0.1311000       3.003500     -0.9637000    
 H    1.585600      -2.747300       1.701000    
 H    2.595700      -2.546300      0.2837000    
 H   0.4467000       3.055500       1.371900    
 H  -3.5000001E-03   1.386400       1.628300    
 H    1.126700     -0.4192000       1.887900    
 H    2.855600     -0.6370000       1.797600    
 H    2.220600       2.372000     -0.2229000    
 H    2.509800       1.836500       1.421800    


%chk=000038523-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000038523

0 1
O 2.503461 0.845822 -1.890001
N 2.021937 0.287559 0.243812
N 2.367285 -0.112459 -1.036180
C -3.255354 -1.275769 -0.228691
C -2.992324 0.191444 -0.686850
C -2.033511 -2.211070 -0.434969
C -2.677774 1.195439 0.456350
C -0.794402 -1.841666 0.415738
C -1.942351 2.469412 -0.041439
C 0.512183 -2.467990 -0.119353
C -0.439920 2.240531 -0.360722
C 1.761249 -2.210599 0.761448
C 0.439781 2.161295 0.909239
C 1.938646 -0.766567 1.282278
C 1.898512 1.713361 0.639944
H -3.560221 -1.284403 0.838492
H -4.109726 -1.695418 -0.795469
H -2.154213 0.187087 -1.412980
H -3.868953 0.574483 -1.246007
H -2.324011 -3.260480 -0.222732
H -1.751815 -2.178782 -1.508439
H -3.625873 1.480945 0.954618
H -2.068674 0.697894 1.236776
H -0.676671 -0.742765 0.412824
H -0.966445 -2.140936 1.471610
H -2.458134 2.843016 -0.949247
H -2.029019 3.274375 0.717561
H 0.384650 -3.564428 -0.227214
H 0.703168 -2.070862 -1.134105
H -0.319195 1.313489 -0.954070
H -0.062167 3.060206 -1.002761
H 1.709665 -2.846342 1.669205
H 2.664743 -2.516306 0.203773
H 0.479909 3.159761 1.389871
H -0.023698 1.482051 1.652998
H 1.091860 -0.501619 1.943356
H 2.858290 -0.717053 1.903526
H 2.333026 2.301601 -0.189289
H 2.515886 1.862844 1.547200


