%chk=000004805.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004805

0 1
 O    3.273000       3.008300      8.6000003E-03
 O    1.591600       2.823600      -1.504400    
 O  -0.7481000      0.8431000       2.141900    
 O    3.864300      -2.481800      -1.434600    
 O    4.035700      -2.147200      0.8029000    
 O   -1.614300      -2.959000     -0.5945000    
 O  -0.6779000      -1.938200       1.207500    
 N   0.2122000       1.119800      4.8900001E-02
 C    1.533800       1.459100      0.5121000    
 C    2.424400      0.2275000      0.7161000    
 C    2.717500     -0.6009000     -0.5413000    
 C    2.109500       2.477200     -0.4505000    
 C  -0.8335000      0.8359000      0.9166000    
 C   -2.127800      0.4779000      0.2813000    
 C   -2.419000     -0.8392000     -1.0900000E-02
 C    3.589400      -1.811100     -0.2852000    
 C   -3.010600       1.503300      2.4000001E-03
 C   -3.642900      -1.144700     -0.6065000    
 C   -4.234400       1.197600     -0.5932000    
 C   -4.550500     -0.1263000     -0.8977000    
 C   -1.492200      -1.925000      0.2807000    
 H    1.419900       1.971400       1.476200    
 H    1.958900     -0.4275000       1.464400    
 H    3.381000      0.5466000       1.150200    
 H    3.229100      2.4800001E-02  -1.280900    
 H    1.776700     -0.9593000     -0.9738000    
 H   4.8700001E-02   1.062200     -0.9528000    
 H   -2.771300       2.536400      0.2372000    
 H   -3.925400      -2.167000     -0.8439000    
 H   -4.941500       1.990500     -0.8191000    
 H   -5.504800     -0.3641000      -1.358600    
 H    3.636700       3.679200     -0.6078000    
 H    4.444000      -3.257000      -1.275400    
 H  -0.9871000      -3.685300     -0.3913000    


%chk=000004805-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004805

0 1
O 3.377400 3.092923 0.016816
O 1.763839 2.784661 -1.624758
O -0.511513 0.359416 2.035429
O 3.893984 -2.425706 -1.282789
O 4.175970 -1.963255 0.973667
O -2.159370 -3.343378 -0.257595
O -0.269087 -2.012075 -0.121236
N 0.236377 1.234107 0.014036
C 1.563158 1.592367 0.533132
C 2.477004 0.360583 0.824268
C 2.686021 -0.538668 -0.406975
C 2.203651 2.536180 -0.477760
C -0.704018 0.615874 0.807298
C -2.044186 0.348585 0.141845
C -2.478033 -0.960547 -0.221213
C 3.643635 -1.674648 -0.120353
C -2.948949 1.429198 0.018750
C -3.806392 -1.165786 -0.675885
C -4.265665 1.221367 -0.450324
C -4.698217 -0.080450 -0.791474
C -1.519685 -2.099047 -0.183422
H 1.442436 2.131848 1.492555
H 1.996820 -0.216725 1.631481
H 3.442794 0.730634 1.210274
H 3.077537 0.018696 -1.280221
H 1.723497 -0.984750 -0.720811
H 0.052798 1.423843 -0.976346
H -2.625505 2.433969 0.311113
H -4.119460 -2.178821 -0.941963
H -4.951422 2.070778 -0.539329
H -5.720359 -0.246839 -1.146727
H 3.785317 3.687374 -0.669634
H 4.514143 -3.171024 -1.055646
H -1.469422 -4.059885 -0.241606


