%chk=000056181.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056181

0 1
 O   0.4313000       2.955700     -0.2632000    
 O    3.452900       1.333100      0.6663000    
 O    1.952900      -1.513100      -1.056800    
 O    2.434100      -3.044600      0.5915000    
 O   -3.063200      -2.292700      0.5251000    
 N    1.314400      0.4046000      0.5875000    
 C  -5.0299998E-02  0.6321000      0.2496000    
 C  -0.4433000       1.908300     -0.1697000    
 C    1.706800     -0.8468000       1.223500    
 C    2.268800       1.387000      0.3353000    
 C    1.757400       2.539400     -0.5056000    
 C   -1.030800     -0.3645000      0.3644000    
 C   -2.367400     -8.6300001E-02  6.5200001E-02
 C   -1.782900       2.192300     -0.4498000    
 C   -2.743800       1.191300     -0.3393000    
 C    2.072600      -1.928200      0.2343000    
 C   -3.367400      -1.137800      0.1663000    
 C   -4.825900     -0.8459000     -0.1691000    
 C    2.283900      -2.484000      -2.055400    
 H    2.607500     -0.6597000       1.820100    
 H   0.9348000      -1.200400       1.912500    
 H    2.405400       3.402800     -0.3190000    
 H    1.866900       2.270900      -1.563900    
 H  -0.7657000      -1.373200      0.6662000    
 H   -2.080900       3.191200     -0.7575000    
 H   -3.770900       1.450500     -0.5754000    
 H   -4.919400     -0.5344000      -1.212600    
 H   -5.225300     -8.6900003E-02  0.5086000    
 H   -5.413300      -1.760200     -3.6100000E-02
 H    1.618000      -3.348600      -1.977600    
 H    3.329600      -2.789600      -1.954400    
 H    2.146200      -2.022000      -3.036600    


%chk=000056181-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056181

0 1
O 0.438616 3.072010 -0.179128
O 3.526485 1.294035 0.606040
O 1.978203 -1.552105 -1.067563
O 2.136452 -3.119001 0.651479
O -2.916098 -2.392588 0.368100
N 1.327677 0.492604 0.593933
C -0.041313 0.691853 0.231857
C -0.468667 2.004600 -0.134293
C 1.763993 -0.761327 1.219066
C 2.309636 1.445196 0.302863
C 1.832688 2.673854 -0.470091
C -0.998734 -0.336902 0.284432
C -2.367676 -0.077193 0.006889
C -1.823106 2.277056 -0.401781
C -2.773887 1.241302 -0.327830
C 1.967220 -1.943595 0.263077
C -3.328269 -1.227603 0.084736
C -4.808250 -0.972680 -0.182898
C 2.207796 -2.642740 -2.051226
H 2.743728 -0.565427 1.692246
H 1.059124 -1.077695 2.005927
H 2.458529 3.533016 -0.191973
H 1.937245 2.477575 -1.556957
H -0.735474 -1.366859 0.545845
H -2.104428 3.300950 -0.663970
H -3.823816 1.463367 -0.539908
H -4.966647 -0.580388 -1.204865
H -5.220466 -0.230309 0.525529
H -5.358366 -1.919273 -0.073098
H 1.412856 -3.401645 -1.964237
H 3.187263 -3.114306 -1.867593
H 2.180683 -2.145481 -3.030207


