%chk=000094426.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094426

0 1
 O    2.744000       1.689000      0.7713000    
 O    4.115300      0.2139000     -0.5522000    
 N   -2.050400     -0.2912000      0.4481000    
 N   -4.390800      0.9304000     -0.7480000    
 C   -2.042400      0.1618000     -0.9489000    
 C   -3.405600     -0.6825000      0.8566000    
 C   -1.110600      -1.393400      0.6423000    
 C   -3.034900       1.309200      -1.152200    
 C   -4.390200      0.4698000      0.6423000    
 C   0.3007000     -0.9935000      0.3032000    
 C   0.7902000      0.2251000      0.7592000    
 C    1.088100      -1.857800     -0.4660000    
 C    2.088300      0.5487000      0.4216000    
 C    2.871400     -0.2936000     -0.3341000    
 C    2.399600      -1.505900     -0.7939000    
 C    4.027400       1.470200      0.1506000    
 H   -2.298400     -0.6649000      -1.626100    
 H   -1.061600      0.5378000      -1.257700    
 H   -3.410800     -0.9485000       1.920400    
 H   -3.744200      -1.564700      0.2963000    
 H   -1.414500      -2.265100      4.6999998E-02
 H   -1.114700      -1.709200       1.693800    
 H   -2.711000       2.195500     -0.5919000    
 H   -3.050000       1.588400      -2.211500    
 H   -5.399700      0.1329000      0.9022000    
 H   -4.149000       1.304600       1.312600    
 H   -5.011100       1.734200     -0.8405000    
 H   0.1977000      0.9003000       1.366600    
 H   0.6932000      -2.808000     -0.8156000    
 H    3.019900      -2.166500      -1.388800    
 H    4.800900       1.492900      0.9268000    
 H    4.217100       2.283400     -0.5593000    


%chk=000094426-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000094426

0 1
O 2.754346 1.814167 0.629019
O 4.275099 0.280080 -0.414329
N -2.097926 -0.341242 0.276405
N -4.495967 0.982941 -0.571452
C -2.286502 0.064898 -1.140781
C -3.401983 -0.632145 0.924629
C -1.125084 -1.446224 0.431169
C -3.204062 1.297190 -1.221993
C -4.318088 0.602548 0.846936
C 0.313809 -1.020870 0.147931
C 0.756708 0.269823 0.564032
C 1.216096 -1.916251 -0.475756
C 2.095044 0.587651 0.340744
C 2.992148 -0.314290 -0.272637
C 2.581188 -1.578283 -0.698053
C 4.189771 1.554142 0.347406
H -2.740995 -0.764053 -1.739617
H -1.299191 0.304049 -1.574942
H -3.220251 -0.894720 1.984153
H -3.924067 -1.491779 0.433985
H -1.377921 -2.327216 -0.212986
H -1.199347 -1.795897 1.481450
H -2.674509 2.155537 -0.739538
H -3.385039 1.552137 -2.282257
H -5.304020 0.357318 1.283094
H -3.855059 1.416301 1.458502
H -5.197485 1.722765 -0.700247
H 0.048747 0.966016 1.021005
H 0.856535 -2.900307 -0.798075
H 3.273732 -2.269371 -1.185132
H 4.730712 1.437807 1.306305
H 4.587458 2.370577 -0.274770


