%chk=000094477.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094477

0 1
 O   -2.196000       2.026600      5.8899999E-02
 O   -3.243800     -0.5724000      0.4001000    
 N   0.7091000     -0.1724000     -0.4324000    
 N    4.312700      0.2634000      0.3968000    
 C    2.138300     -3.0300001E-02 -0.6880000    
 C    2.878700      0.1474000      0.6313000    
 C  -0.1118000      0.9408000     -0.3161000    
 C   0.1390000      -1.419800     -0.2223000    
 C   -1.423500      0.8952000     -4.3099999E-02
 C   -1.153800      -1.632100      5.6699999E-02
 C   -2.048800     -0.4462000      0.1581000    
 H    2.516900     -0.9106000      -1.224600    
 H    2.322400      0.8280000      -1.347900    
 H    2.528600       1.047200       1.149200    
 H    2.690100     -0.7032000       1.296300    
 H   0.3985000       1.886100     -0.4681000    
 H   0.8337000      -2.248900     -0.3022000    
 H   -1.564900      -2.621100      0.2118000    
 H    4.657400     -0.5846000     -5.1300000E-02
 H    4.797100      0.3310000       1.290800    
 H   -3.103200       1.740200      0.2625000    


%chk=000094477-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000094477

0 1
O -2.215232 1.978244 0.154269
O -3.371678 -0.391180 0.416094
N 0.692308 -0.218520 -0.450845
N 4.369228 0.211315 0.397403
C 2.157777 -0.107537 -0.659170
C 2.933335 0.101106 0.670937
C -0.059570 0.952717 -0.291003
C 0.087719 -1.454771 -0.313118
C -1.407613 0.869453 -0.005366
C -1.266809 -1.589524 -0.026859
C -2.103018 -0.425448 0.148927
H 2.511931 -1.028197 -1.156573
H 2.373442 0.738738 -1.333331
H 2.586472 1.040272 1.138669
H 2.665315 -0.721441 1.372669
H 0.461170 1.903903 -0.415117
H 0.740847 -2.320702 -0.451636
H -1.708734 -2.584734 0.063173
H 4.872351 -0.666481 0.259737
H 4.886408 0.894976 0.949418
H -3.128947 1.582110 0.348224


