%chk=000040849.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040849

0 1
 N   0.7444000      -2.063600     -0.1541000    
 N   -1.722700       2.021600     -0.7077000    
 N   -3.935000     -0.9499000     -0.1922000    
 C   -1.601800      0.4050000       1.162700    
 C   -2.507200       1.065500      8.3600000E-02
 C  -0.4695000     -0.3767000      0.6254000    
 C   0.8367000      0.1101000      0.3395000    
 C    1.578300     -0.9682000     -0.1482000    
 C   -3.126200      4.6100002E-02 -0.8891000    
 C  -0.4952000      -1.716100      0.3116000    
 C    1.461300       1.368400      0.4492000    
 C    2.918600     -0.8505000     -0.5330000    
 C    2.801400       1.501000      6.7800000E-02
 C    3.516900      0.4073000     -0.4155000    
 H   -2.217800     -0.2383000       1.804800    
 H   -1.221200       1.189100       1.831400    
 H   -3.308000       1.614300      0.5949000    
 H   -3.772900      0.5703000      -1.603900    
 H   -2.359200     -0.4642000      -1.482000    
 H   -1.279900      -2.456400      0.3796000    
 H    1.010000      -2.990200     -0.4578000    
 H   0.9230000       2.231800      0.8293000    
 H   -1.351100       2.746000     -9.4499998E-02
 H   -2.331300       2.495500      -1.373900    
 H    3.476500      -1.701500     -0.9092000    
 H    3.288800       2.468800      0.1515000    
 H    4.557000      0.5327000     -0.7056000    
 H   -4.389600      -1.554300     -0.8753000    
 H   -4.682100     -0.4851000      0.3220000    


%chk=000040849-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040849

0 1
N 0.780917 -2.074204 -0.163127
N -1.880926 2.085264 -0.805591
N -4.038273 -0.939005 -0.118124
C -1.691617 0.424185 1.154970
C -2.577900 1.096259 0.046440
C -0.509902 -0.350176 0.626153
C 0.823580 0.155917 0.328909
C 1.611065 -0.948044 -0.163534
C -3.244926 0.051625 -0.882630
C -0.490128 -1.710839 0.312715
C 1.438845 1.432598 0.445159
C 2.965123 -0.806389 -0.540441
C 2.789372 1.580154 0.074167
C 3.544408 0.472973 -0.417177
H -2.348608 -0.251669 1.732489
H -1.342982 1.222967 1.840184
H -3.388298 1.643548 0.574554
H -3.826879 0.621498 -1.640896
H -2.448723 -0.495988 -1.423769
H -1.295750 -2.437334 0.404413
H 1.057602 -3.010641 -0.448137
H 0.871796 2.288605 0.828513
H -1.050251 1.697710 -1.270247
H -1.654893 2.961444 -0.322967
H 3.550683 -1.654597 -0.913411
H 3.274520 2.558910 0.162051
H 4.592803 0.620069 -0.700178
H -4.324236 -1.752085 -0.673605
H -4.844221 -0.524254 0.364414


