%chk=000002390.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002390

0 1
 O   -5.856600      -1.359900      0.3540000    
 O   -6.488000       1.153500     -0.6526000    
 O    1.297000     -0.4686000       1.928400    
 N    2.010100      -1.338700     -8.9299999E-02
 N  -0.7418000      -1.173700      -2.339900    
 C    3.362400      -1.631200      0.3313000    
 C    4.289300     -0.4701000      8.6999997E-02
 C   -2.613200      0.2917000      0.5065000    
 C    4.959400     -0.3738000      -1.124600    
 C    4.460600      0.4873000       1.077000    
 C   -1.233100     -1.0600000E-02  0.9166000    
 C    1.070800     -0.7715000      0.7579000    
 C  -0.2790000     -0.5408000      0.1267000    
 C   -3.588800     -0.6863000      0.6262000    
 C   -2.914600       1.549400      6.3999998E-03
 C   -4.897100     -0.3998000      0.2365000    
 C    5.818200      0.7017000      -1.350600    
 C    5.319400       1.562900      0.8508000    
 C   -5.214200      0.8613000     -0.2683000    
 C   -4.222900       1.835800     -0.3833000    
 C    5.998300       1.670200     -0.3630000    
 C  -0.5363000     -0.8889000      -1.233800    
 H    3.696800      -2.513700     -0.2260000    
 H    3.366300      -1.906900       1.392700    
 H    1.775600      -1.554500      -1.052600    
 H    4.824700      -1.121600      -1.901000    
 H    3.941600      0.4133000       2.028100    
 H   -1.030400      0.2450000       1.954400    
 H   -3.348100      -1.671100       1.019400    
 H   -2.151300       2.317300     -8.7800004E-02
 H    6.346400      0.7856000      -2.295900    
 H    5.460500       2.316400       1.620200    
 H   -4.456100       2.822400     -0.7750000    
 H    6.667100       2.507600     -0.5390000    
 H   -6.699500     -0.9899000      3.9099999E-02
 H   -6.519000       2.070500     -0.9753000    


%chk=000002390-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000002390

0 1
O -5.247969 -0.154451 -2.192148
O -6.924851 0.859920 -0.346266
O 1.050964 -0.019085 2.284553
N 2.049780 -0.894537 0.368305
N -0.302152 -1.242206 -2.156575
C 3.390847 -1.003762 0.966335
C 4.470362 -0.318559 0.134886
C -2.842785 0.284725 0.621312
C 5.681983 -0.991319 -0.157097
C 4.292300 1.009158 -0.331642
C -1.449854 0.108343 1.012783
C 0.967212 -0.412163 1.077742
C -0.352741 -0.372817 0.324928
C -3.375362 -0.041795 -0.664113
C -3.720344 0.823977 1.611689
C -4.733588 0.166382 -0.937009
C 6.703052 -0.349707 -0.895387
C 5.308592 1.650603 -1.072230
C -5.589607 0.705906 0.067807
C -5.085707 1.035107 1.340449
C 6.518816 0.973605 -1.355755
C -0.367251 -0.837026 -1.028503
H 3.651283 -2.070643 1.111857
H 3.307434 -0.545391 1.969586
H 1.926754 -1.188258 -0.604582
H 5.828003 -2.021092 0.193057
H 3.356438 1.536357 -0.111794
H -1.198679 0.406013 2.042779
H -2.752925 -0.456451 -1.460126
H -3.320234 1.076577 2.599368
H 7.635175 -0.882392 -1.114826
H 5.159791 2.676751 -1.426826
H -5.746784 1.449971 2.110787
H 7.306981 1.471704 -1.931292
H -6.219297 0.052812 -2.213471
H -7.501138 1.234040 0.362621


