%chk=000088567.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088567

0 1
 O  -0.9989000      -1.064300     -0.3935000    
 N   -3.053500     -7.1500003E-02 -0.6599000    
 N   -1.036900       1.195800     -0.3197000    
 C   -5.422000      0.5229000     -0.5532000    
 C   -3.993400       1.019000     -0.7592000    
 C   -5.641100     -8.5500002E-02  0.8344000    
 C   0.2746000     -0.6257000     -0.1913000    
 C   0.2471000      0.7461000     -0.1474000    
 C   -1.713100      8.6700000E-02 -0.4579000    
 C    1.277000      -1.645500     -7.9999998E-02
 C    1.375800       1.602000      4.8099998E-02
 C   -7.088000     -0.5099000       1.032400    
 C    2.590600      -1.391900     -0.4894000    
 C   0.9500000      -2.902900      0.4391000    
 C    2.106800       2.065200      -1.049700    
 C    1.755500       1.981000       1.339000    
 C    3.565400      -2.383700     -0.3808000    
 C    1.924900      -3.894700      0.5477000    
 C    3.207600       2.900300     -0.8584000    
 C    2.856400       2.816000       1.530300    
 C    3.232600      -3.635000      0.1378000    
 C    3.582400       3.275700      0.4316000    
 H   -5.668400     -0.2222000      -1.320100    
 H   -6.109400       1.365800     -0.6945000    
 H   -3.767300       1.789500     -1.2000000E-02
 H   -3.908000       1.483500      -1.748100    
 H   -5.373400      0.6454000       1.606200    
 H   -4.996300     -0.9597000      0.9781000    
 H   -3.419800      -1.010300     -0.7947000    
 H   -7.379900      -1.263900      0.2945000    
 H   -7.223700     -0.9401000       2.029700    
 H   -7.764600      0.3453000      0.9367000    
 H    2.891700     -0.4501000     -0.9297000    
 H  -5.9400000E-02  -3.131300      0.7734000    
 H    1.827500       1.784300      -2.062800    
 H    1.200700       1.631900       2.207000    
 H    4.582100      -2.184600     -0.7070000    
 H    1.666400      -4.868700      0.9527000    
 H    3.772900       3.258300      -1.713900    
 H    3.148400       3.108200       2.534700    
 H    3.991400      -4.407700      0.2210000    
 H    4.439500       3.925800      0.5806000    


%chk=000088567-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000088567

0 1
O -0.948355 -1.420989 -0.508877
N -3.032022 -0.484759 -1.108136
N -1.056842 0.870983 -0.663632
C -5.347071 0.408166 -0.796467
C -3.953336 0.620622 -1.426122
C -5.346866 0.452889 0.748051
C 0.363117 -0.896195 -0.187444
C 0.260168 0.496366 -0.259543
C -1.722274 -0.275596 -0.784660
C 1.396199 -1.907743 0.025785
C 1.231636 1.561465 0.054291
C -6.745210 0.198879 1.349998
C 2.770306 -1.638930 -0.242132
C 1.034305 -3.213321 0.470422
C 1.087485 2.829221 -0.574408
C 2.272462 1.387270 1.007972
C 3.747302 -2.635301 -0.044807
C 2.016047 -4.207181 0.659548
C 1.980822 3.881523 -0.284718
C 3.161949 2.442747 1.298683
C 3.379633 -3.924344 0.410364
C 3.026779 3.692918 0.649188
H -5.769649 -0.559837 -1.141940
H -6.022057 1.194182 -1.191031
H -3.488531 1.545441 -1.042115
H -4.048605 0.732249 -2.526416
H -4.970353 1.441291 1.079447
H -4.629422 -0.296427 1.135794
H -3.343919 -1.448815 -1.224344
H -7.128592 -0.798240 1.060797
H -6.721303 0.243059 2.454012
H -7.474437 0.952983 0.997890
H 3.066668 -0.657536 -0.625033
H -0.019635 -3.436331 0.663859
H 0.262501 2.969318 -1.279750
H 2.370846 0.435110 1.539579
H 4.797653 -2.409270 -0.260785
H 1.717276 -5.203676 1.004210
H 1.859342 4.849977 -0.783151
H 3.954207 2.293475 2.041121
H 4.142001 -4.696758 0.559875
H 3.719976 4.510616 0.876424


