%chk=000144589.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000144589

0 1
 O   -4.531000       1.848100     -0.8556000    
 N   -1.254800     -0.3279000      0.1570000    
 C   -2.059200      0.2389000       1.246400    
 C   -2.038400     -0.7884000     -0.9973000    
 C   -3.019100     -0.8518000       1.762500    
 C   -2.988500      -1.905700     -0.5346000    
 C   -3.850400      -1.516200      0.6656000    
 C   -2.780300       1.493300      0.7418000    
 C   -2.763700      0.4171000      -1.612800    
 C   -3.479400       1.268700     -0.5834000    
 C   0.1271000     -0.2158000      0.1047000    
 C   0.7928000      0.8955000      0.6675000    
 C   0.9194000      -1.207900     -0.5142000    
 C    4.425300      0.1350000     -6.0600001E-02
 C    2.939900      1.4000000E-02 -3.4000000E-03
 C    2.182000       1.009100      0.6139000    
 C    2.308600      -1.094500     -0.5676000    
 C    5.042800      0.2032000       1.370600    
 C    4.859200       1.426000     -0.8219000    
 C    5.167600      -1.040700     -0.7787000    
 H   -1.435000      0.5199000       2.103900    
 H   -1.403000      -1.211700      -1.784100    
 H   -3.684200     -0.4395000       2.530300    
 H   -2.421100      -1.631400       2.253600    
 H   -2.385100      -2.779200     -0.2532000    
 H   -3.632600      -2.224200      -1.362500    
 H   -4.340900      -2.409900       1.069100    
 H   -4.659300     -0.8496000      0.3490000    
 H   -2.062800       2.306700      0.5842000    
 H   -3.516200       1.830800       1.479600    
 H   -3.487500      8.1799999E-02  -2.363500    
 H   -2.037400       1.071200      -2.110400    
 H   0.2382000       1.700500       1.142500    
 H   0.4601000      -2.095800     -0.9428000    
 H    2.647700       1.884200       1.058000    
 H    2.849000      -1.898700      -1.054500    
 H    6.136600      0.2636000       1.330500    
 H    4.691200       1.079100       1.926700    
 H    4.775900     -0.6869000       1.952500    
 H    4.503300       2.334300     -0.3233000    
 H    5.950700       1.501200     -0.8896000    
 H    4.457400       1.429700      -1.842000    
 H    6.252500     -0.8797000     -0.7809000    
 H    4.987100      -1.997400     -0.2745000    
 H    4.855600      -1.133100      -1.825600    


%chk=000144589-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000144589

0 1
O -4.187751 1.860801 -1.229008
N -1.275702 -0.650480 0.369620
C -2.094955 0.185399 1.279350
C -2.069018 -1.115833 -0.799677
C -3.288921 -0.643546 1.823053
C -3.255707 -1.991443 -0.328330
C -4.151886 -1.264702 0.700781
C -2.542335 1.496585 0.543314
C -2.513363 0.128011 -1.649291
C -3.184547 1.216306 -0.814174
C 0.120541 -0.415916 0.234951
C 0.797444 0.613825 0.958052
C 0.926753 -1.238694 -0.605352
C 4.515169 0.237099 -0.116461
C 2.993234 -0.013647 -0.007342
C 2.188833 0.795503 0.837346
C 2.316821 -1.034998 -0.721087
C 5.171492 0.100542 1.290649
C 4.764326 1.677490 -0.659014
C 5.207440 -0.767798 -1.073171
H -1.475345 0.466269 2.147597
H -1.425932 -1.737255 -1.441738
H -3.907825 0.000725 2.476377
H -2.872575 -1.452529 2.453881
H -2.836498 -2.907613 0.130841
H -3.850938 -2.303096 -1.207831
H -4.876129 -1.977396 1.137884
H -4.755718 -0.484279 0.200878
H -1.632898 2.106589 0.361360
H -3.237365 2.098926 1.154669
H -3.186363 -0.158285 -2.476812
H -1.593823 0.562521 -2.094441
H 0.246259 1.289781 1.618825
H 0.478718 -2.072285 -1.155729
H 2.651165 1.604432 1.416316
H 2.877787 -1.705932 -1.379288
H 6.259717 0.291130 1.226799
H 4.743595 0.819874 2.011851
H 5.019719 -0.916175 1.697116
H 4.317499 2.442702 0.001036
H 5.849871 1.880872 -0.729142
H 4.322466 1.799714 -1.665007
H 6.290239 -0.549749 -1.120698
H 5.090061 -1.810750 -0.724659
H 4.806543 -0.696795 -2.101395


