%chk=000049793.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049793

0 1
 N   -3.800100       1.706700      0.9262000    
 N  -0.1429000      -1.457300       2.119000    
 C   -1.176100     -0.9178000     -0.2636000    
 C   -2.106800      -2.128500     -0.6765000    
 C   -1.985000      0.4172000     -0.1373000    
 C  -1.1100000E-02 -0.7424000      -1.299500    
 C   -3.127500      0.4097000      0.8910000    
 C    1.024200      0.3243000      -1.003600    
 C   -1.380600      -3.481300     -0.7413000    
 C   -2.844100      -1.920000      -2.012400    
 C  -0.5915000      -1.220400       1.074900    
 C    2.171800      3.7599999E-02 -0.2641000    
 C   0.7708000       1.592800      -1.504200    
 C    3.100300       1.078000     -2.2299999E-02
 C   -4.857400       1.708000       1.937000    
 C   -4.350700       2.034000     -0.3889000    
 C    2.430600      -1.245800      0.2440000    
 C    1.684200       2.615700      -1.266700    
 C    2.841900       2.361500     -0.5307000    
 C    4.260400      0.8042000      0.7205000    
 C    3.588200      -1.499700      0.9803000    
 C    4.501300     -0.4766000       1.218200    
 H   -2.874500      -2.248000      9.9299997E-02
 H   -2.343800      0.6704000      -1.138800    
 H   -1.307500       1.226300      0.1644000    
 H  -0.4540000     -0.4972000      -2.275500    
 H   0.4966000      -1.691500      -1.497600    
 H   -3.848500     -0.3816000      0.6567000    
 H   -2.718700      0.1952000       1.885000    
 H  -0.8421000      -3.705900      0.1837000    
 H   -2.104900      -4.290500     -0.8915000    
 H  -0.6719000      -3.529000      -1.573500    
 H   -2.150900      -1.838800      -2.854700    
 H   -3.507200      -2.768600      -2.216400    
 H   -3.473600      -1.026400      -1.991700    
 H  -0.1223000       1.808500      -2.083800    
 H   -5.639600      0.9716000       1.719000    
 H   -5.324000       2.697000       2.006000    
 H   -4.444000       1.489400       2.928000    
 H   -4.944700       1.216100     -0.8129000    
 H   -3.570300       2.323900      -1.098800    
 H   -5.003100       2.913500     -0.3205000    
 H    1.778800      -2.095600      7.1199998E-02
 H    1.496700       3.612500      -1.655000    
 H    3.541900       3.176100     -0.3573000    
 H    4.988100       1.588500      0.9183000    
 H    3.780300      -2.498100       1.362600    
 H    5.403000     -0.6755000       1.790000    


%chk=000049793-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049793

0 1
N -3.873094 1.687859 0.879993
N -0.373293 -1.479580 2.195716
C -1.219478 -0.954041 -0.290008
C -2.125210 -2.194958 -0.712529
C -2.044146 0.378508 -0.231982
C -0.009302 -0.789538 -1.296896
C -3.281691 0.341304 0.689936
C 1.014266 0.297468 -0.988868
C -1.356765 -3.539183 -0.704895
C -2.836789 -1.990836 -2.071387
C -0.721117 -1.236943 1.079821
C 2.221205 0.026059 -0.233935
C 0.809464 1.590802 -1.493727
C 3.168456 1.104679 -0.005972
C -4.792428 1.725997 2.036874
C -4.512276 2.218732 -0.340640
C 2.543031 -1.270155 0.295272
C 1.736564 2.650797 -1.261080
C 2.896601 2.412016 -0.525855
C 4.372538 0.845498 0.729745
C 3.725343 -1.494153 1.002534
C 4.651422 -0.428029 1.225706
H -2.909515 -2.270215 0.067191
H -2.335043 0.632283 -1.268875
H -1.388191 1.190842 0.126771
H -0.465816 -0.567674 -2.279111
H 0.491976 -1.766660 -1.396336
H -4.044564 -0.380362 0.294612
H -2.969483 -0.028562 1.685141
H -0.812050 -3.692948 0.244111
H -2.068927 -4.376447 -0.820693
H -0.633659 -3.609007 -1.538413
H -2.116508 -1.924144 -2.907168
H -3.493361 -2.856703 -2.274593
H -3.469525 -1.085895 -2.086543
H -0.085892 1.793796 -2.093617
H -5.693871 1.072359 1.911993
H -5.143506 2.761238 2.196934
H -4.257465 1.402351 2.946955
H -5.356343 1.578131 -0.708759
H -3.773399 2.313876 -1.154587
H -4.914055 3.226833 -0.135760
H 1.845482 -2.101484 0.159397
H 1.531937 3.646685 -1.668559
H 3.618636 3.216675 -0.342756
H 5.074407 1.672151 0.893679
H 3.941849 -2.491509 1.400379
H 5.573281 -0.615712 1.786982


