%chk=000044417.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044417

0 1
 O   -1.798400       2.150300     -0.4778000    
 N    2.819700       1.618100       1.073500    
 N  -0.7323000      0.1939000      -1.119900    
 N   -5.101800      -1.331500      0.7980000    
 C    1.540800      0.8899000     -0.5881000    
 C    2.541500     -8.9599997E-02 -0.3349000    
 C    3.330600      0.3920000      0.7119000    
 C   0.4776000      0.8164000      -1.610600    
 C    1.738000       1.927700      0.2934000    
 C    2.852700      -1.343400     -0.8974000    
 C    4.419700     -0.3206000       1.226300    
 C    3.939100      -2.067400     -0.3931000    
 C    4.709300      -1.561900      0.6525000    
 C   -1.780400      0.9271000     -0.5883000    
 C   -2.941800      0.1374000     -0.1037000    
 C   -3.729600      0.6564000      0.8964000    
 C   -3.195400      -1.089700     -0.6691000    
 C   -4.799900     -0.1185000       1.313100    
 C   -4.289500      -1.786700     -0.1821000    
 H   0.2386000       1.819700      -1.982900    
 H   0.8090000      0.2290000      -2.473900    
 H    1.206900       2.858400      0.4372000    
 H    3.190200       2.204400       1.808700    
 H    2.262300      -1.753100      -1.712000    
 H    5.019800      7.1999997E-02   2.040200    
 H  -0.7458000     -0.8202000      -1.107000    
 H    4.183500      -3.035200     -0.8228000    
 H    5.548700      -2.141100       1.028800    
 H   -3.541400       1.619400       1.356500    
 H   -2.620900      -1.520200      -1.479900    
 H   -5.463300      0.2271000       2.099200    
 H   -4.554600      -2.757900     -0.5868000    


%chk=000044417-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044417

0 1
O -1.752842 2.166905 -0.505021
N 2.842003 1.574235 1.192437
N -0.745248 0.177306 -1.172097
N -5.279848 -1.274709 0.855892
C 1.581788 0.899767 -0.587865
C 2.624484 -0.087628 -0.360767
C 3.402789 0.363059 0.765231
C 0.493957 0.853618 -1.633085
C 1.749464 1.894106 0.376768
C 2.982107 -1.306411 -0.997950
C 4.509047 -0.362230 1.260046
C 4.082984 -2.035231 -0.508269
C 4.837924 -1.568710 0.609049
C -1.784567 0.898356 -0.613444
C -2.975369 0.100852 -0.130381
C -3.863979 0.722425 0.780831
C -3.275220 -1.219569 -0.552078
C -4.986219 0.004089 1.245316
C -4.426001 -1.858430 -0.036385
H 0.192976 1.874526 -1.920051
H 0.847711 0.329980 -2.540057
H 1.155132 2.791247 0.540364
H 3.179305 2.137980 1.969558
H 2.417264 -1.675606 -1.862455
H 5.093746 -0.007892 2.116384
H -0.729101 -0.839455 -1.077570
H 4.371253 -2.975980 -0.990328
H 5.689370 -2.158541 0.966094
H -3.666747 1.750094 1.099631
H -2.661589 -1.746247 -1.291421
H -5.687063 0.456369 1.955545
H -4.686610 -2.876075 -0.348520


