%chk=000063567.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063567

0 1
 O    2.170300       1.633800     -0.1654000    
 O   -7.660800      0.4564000     -0.1138000    
 N    2.196000     -0.6798000     -0.4506000    
 N   0.1153000     -0.9458000      0.6281000    
 N   -2.109000      0.1950000      7.2999999E-02
 N    4.233500      -1.898400     -0.3202000    
 C   0.7586000     -0.7508000     -0.6619000    
 C    4.244400      0.5395000     -9.8000001E-03
 C   -1.352400     -0.9776000      0.4950000    
 C    2.777500      0.5684000     -0.2122000    
 C    4.910000     -0.6922000     -7.2600000E-02
 C    2.954200      -1.835800     -0.4910000    
 C   -3.491900      0.2599000      2.6900001E-02
 C    4.947800       1.722800      0.2385000    
 C    6.296100     -0.7196000      0.1173000    
 C    6.328600       1.677600      0.4258000    
 C    7.002000      0.4589000      0.3652000    
 C   -4.280300     -0.8451000      0.3990000    
 C   -4.146300       1.432900     -0.3944000    
 C   -5.672800     -0.7799000      0.3515000    
 C   -5.538900       1.498300     -0.4420000    
 C   -6.302200      0.3920000     -6.8899997E-02
 C   -8.379900     -0.7105000      0.2826000    
 H   0.5374000      -1.588500      -1.333600    
 H   0.4209000      0.1766000      -1.136600    
 H   -1.608600      -1.817900     -0.1637000    
 H   -1.710200      -1.251200       1.495500    
 H   0.4328000      -1.828700       1.027700    
 H    2.375800      -2.752500     -0.6852000    
 H   -1.586100       1.021900     -0.1920000    
 H    4.441000       2.682300      0.2891000    
 H    6.836200      -1.662400      7.3200002E-02
 H    6.880300       2.593200      0.6189000    
 H   -3.831900      -1.778000      0.7299000    
 H   -3.566500       2.304900     -0.6890000    
 H    8.077800      0.4256000      0.5111000    
 H   -6.204800      -1.675300      0.6543000    
 H   -6.023500       2.413800     -0.7700000    
 H   -8.200300     -0.9559000       1.334800    
 H   -9.446300     -0.4816000      0.1853000    
 H   -8.172700      -1.556000     -0.3821000    


%chk=000063567-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063567

0 1
O 0.929866 0.595423 0.003160
O -6.645485 1.541308 -0.397194
N 2.036433 -1.404566 -0.547642
N 0.139123 -2.413040 0.639166
N -1.564622 -0.733323 0.664328
N 4.448584 -1.572482 -0.667518
C 0.730289 -2.152474 -0.649710
C 3.361017 0.579664 -0.055908
C -1.282757 -2.143362 0.886465
C 2.023280 -0.026448 -0.181515
C 4.532006 -0.211816 -0.303054
C 3.237925 -2.085741 -0.768999
C -2.844447 -0.227068 0.420093
C 3.490112 1.947436 0.303486
C 5.816335 0.386022 -0.181371
C 4.765035 2.523816 0.419651
C 5.929006 1.739251 0.176294
C -4.024947 -1.006939 0.575483
C -2.991926 1.134400 0.003652
C -5.303249 -0.458539 0.306625
C -4.258244 1.679730 -0.250701
C -5.425516 0.886024 -0.107597
C -7.864926 0.751827 -0.256796
H 0.970551 -3.064056 -1.238050
H 0.031456 -1.527537 -1.230956
H -1.958768 -2.748157 0.231518
H -1.482189 -2.468672 1.933302
H 0.581673 -3.112832 1.233079
H 3.132598 -3.139202 -1.053538
H -0.745092 -0.113891 0.589770
H 2.577997 2.525387 0.483639
H 6.694616 -0.236801 -0.374950
H 4.867050 3.577909 0.697878
H -3.964568 -2.041405 0.929914
H -2.096371 1.754955 -0.119971
H 6.920179 2.196524 0.268581
H -6.186544 -1.091828 0.438780
H -4.368558 2.721342 -0.569031
H -8.004275 0.399154 0.785346
H -8.686193 1.432322 -0.528274
H -7.865353 -0.122014 -0.939737


