%chk=000063432.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063432

0 1
 O  -0.6527000     -0.9996000       1.906600    
 N    4.081400     -0.2247000     -0.6138000    
 N   -1.039700      0.9510000      0.6706000    
 N   -2.804400       1.008700     -0.9221000    
 C    5.840300      -1.754300     -0.7538000    
 C    5.207000      -1.847300      0.6311000    
 C    5.334800     -0.4423000      -1.335500    
 C    4.375400     -0.5812000      0.7738000    
 C    3.594200       1.140400     -0.7454000    
 C    2.338800       1.321000     -1.0700000E-02
 C   -1.816600       1.575900     -0.3030000    
 C   5.9099998E-02   1.661100       1.323400    
 C   -2.406900      -1.038700      0.3621000    
 C   -1.283900     -0.3755000       1.058300    
 C   -1.490300       3.005400     -0.6647000    
 C   -3.120000     -0.3174000     -0.5989000    
 C    1.309600       1.473600      0.5896000    
 C   -2.747100      -2.362800      0.6616000    
 C   -4.184300     -0.9410000      -1.259900    
 C   -2.257100       3.979900      0.2007000    
 C   -3.809700      -2.970900     -5.2000000E-03
 C   -4.528100      -2.261200     -0.9649000    
 H    6.933600      -1.775400     -0.7018000    
 H    5.516400      -2.603200      -1.367400    
 H    4.572100      -2.739400      0.6887000    
 H    5.963500      -1.922200       1.418700    
 H    6.062900      0.3548000      -1.136900    
 H    5.182000     -0.5134000      -2.416900    
 H    3.475900     -0.7757000       1.366600    
 H    4.968100      0.1931000       1.278300    
 H    4.335700       1.867300     -0.3901000    
 H    3.413600       1.360900      -1.804500    
 H   0.1818000       1.261500       2.337300    
 H  -0.1601000       2.722200       1.450300    
 H  -0.4194000       3.213000     -0.6290000    
 H   -1.786300       3.163400      -1.709900    
 H   -2.199500      -2.933000       1.406700    
 H   -4.754100     -0.3998000      -2.011500    
 H   -2.003100       5.010000     -6.8000004E-02
 H   -2.049700       3.843400       1.265900    
 H   -3.336800       3.853300      6.4199999E-02
 H   -4.077700      -3.998200      0.2237000    
 H   -5.356000      -2.735100      -1.484200    


%chk=000063432-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063432

0 1
O -0.978905 -0.840905 2.349092
N 4.182914 -0.046809 -0.568883
N -1.132730 0.901170 0.773530
N -2.695651 0.850993 -1.056082
C 5.963382 -1.591673 -1.002995
C 5.177335 -2.018006 0.284970
C 5.462866 -0.153599 -1.318135
C 4.426782 -0.738781 0.723257
C 3.678996 1.338560 -0.462898
C 2.368724 1.425116 0.209148
C -1.732591 1.458384 -0.374054
C -0.008711 1.579639 1.491672
C -2.597916 -1.042675 0.546174
C -1.530895 -0.374564 1.306310
C -1.307803 2.841450 -0.829568
C -3.142636 -0.406848 -0.614855
C 1.279463 1.500859 0.782383
C -3.077809 -2.313027 0.960530
C -4.169447 -1.065903 -1.347390
C -2.107357 3.963215 -0.110880
C -4.091960 -2.950559 0.228466
C -4.636800 -2.322035 -0.928422
H 7.055821 -1.601335 -0.843815
H 5.741218 -2.279004 -1.836477
H 4.451097 -2.811944 0.042666
H 5.840978 -2.394795 1.082355
H 6.212319 0.599593 -0.958608
H 5.297488 0.022174 -2.396486
H 3.474446 -0.942083 1.240685
H 5.068353 -0.120850 1.404910
H 4.400672 2.003637 0.086618
H 3.591177 1.750993 -1.487602
H 0.068035 1.055819 2.462661
H -0.285395 2.630368 1.686547
H -0.222254 2.990794 -0.696630
H -1.522789 2.887774 -1.909664
H -2.635903 -2.768400 1.852743
H -4.572422 -0.564640 -2.232486
H -1.805367 4.952720 -0.497409
H -1.942285 3.962462 0.982496
H -3.188748 3.835427 -0.291128
H -4.465245 -3.930602 0.543671
H -5.427751 -2.824511 -1.496321


