%chk=000056461.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056461

0 1
 O    2.757300       1.628500      0.1159000    
 O    4.958100       1.462400     -0.5566000    
 N   -4.058600      0.2295000      0.4959000    
 N    3.609400     -0.4414000     -0.3918000    
 C   -4.941500      0.4850000     -0.6330000    
 C   -6.416500      0.6845000     -0.4120000    
 C   -5.922600     -0.5643000      -1.081600    
 C   -2.679700      6.1999999E-02  4.9300000E-02
 C   -1.728100     -0.1614000       1.232500    
 C  -0.3095000     -0.3081000      0.7911000    
 C   0.5037000      0.8239000      0.6877000    
 C    2.294000     -0.6230000     -2.3800001E-02
 C   0.1924000      -1.588200      0.4835000    
 C    1.805800      0.6324000      0.2762000    
 C    1.515700      -1.757800      6.7900002E-02
 C    3.891600      0.9124000     -0.3091000    
 C    4.528600      -1.476500     -0.7922000    
 H   -4.519200       1.122000      -1.407100    
 H   -6.925000       1.418100      -1.025900    
 H   -6.808600      0.5942000      0.5938000    
 H   -5.983100      -1.491300     -0.5245000    
 H   -6.095100     -0.6695000      -2.145800    
 H   -4.102900       1.004400       1.157300    
 H   -2.615800     -0.7927000     -0.6363000    
 H   -2.354900      0.9502000     -0.5087000    
 H   -2.034600      -1.052600       1.796300    
 H   -1.806300      0.6746000       1.940600    
 H   0.1311000       1.815700      0.9190000    
 H  -0.4504000      -2.461700      0.5654000    
 H    1.901500      -2.742400     -0.1688000    
 H    5.505600      -1.046500      -1.029400    
 H    4.135400      -1.983800      -1.677900    
 H    4.641400      -2.193500      2.6000001E-02


%chk=000056461-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056461

0 1
O 2.903238 1.559612 0.119840
O 5.163590 1.310652 -0.580817
N -4.108108 0.506287 0.458907
N 3.653867 -0.539657 -0.399477
C -5.079848 0.660664 -0.608163
C -6.532685 0.277196 -0.310280
C -5.673967 -0.618945 -1.218012
C -2.709300 0.322960 0.024423
C -1.796048 0.018119 1.240564
C -0.349106 -0.206673 0.830857
C 0.543635 0.898040 0.722465
C 2.300487 -0.669140 -0.021599
C 0.110088 -1.514008 0.510392
C 1.845562 0.633662 0.297800
C 1.436320 -1.771251 0.080638
C 4.060613 0.802715 -0.326728
C 4.549978 -1.617610 -0.815994
H -4.934027 1.499786 -1.312345
H -7.329599 0.872385 -0.765105
H -6.744938 -0.094937 0.695800
H -5.326920 -1.564801 -0.793040
H -5.886706 -0.634830 -2.290674
H -4.201434 1.229689 1.184446
H -2.680069 -0.529233 -0.681137
H -2.297636 1.205109 -0.526100
H -2.203196 -0.870546 1.756440
H -1.861434 0.863814 1.954692
H 0.224785 1.915482 0.967982
H -0.588168 -2.353638 0.604746
H 1.766039 -2.787855 -0.154215
H 5.531746 -1.174517 -1.045819
H 4.161824 -2.122302 -1.718803
H 4.670621 -2.361130 -0.007783


