%chk=000157061.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157061

0 1
 O   0.2836000      -2.142400      -1.300200    
 O   0.9152000      -2.965500      0.7638000    
 O    6.278900      0.7827000      -1.344300    
 N    1.302100       1.693200      1.6000001E-02
 N   -2.042800     -0.9138000      0.8065000    
 C    1.453600      0.2716000     -0.3366000    
 C   0.4428000     -0.6097000      0.4747000    
 C    1.827600      0.6390000       2.186000    
 C    2.918500     -0.1132000      5.3900000E-02
 C   0.7828000     -0.4771000       1.984800    
 C    3.153400      0.1995000       1.546500    
 C    1.324000       1.909100       1.470100    
 C   -1.002600     -0.2408000      0.2060000    
 C   0.2933000       2.475700     -0.6952000    
 C    3.963600      0.5788000     -0.8261000    
 C   0.5825000      -2.047300      2.6699999E-02
 C   -1.560400      0.7492000     -0.5910000    
 C  -0.8032000       1.710400      -1.446500    
 C   -2.984200      0.6606000     -0.4535000    
 C    5.362400      8.9599997E-02 -0.5086000    
 C   -3.251900     -0.3862000      0.4270000    
 C   -4.074400       1.372600     -0.9984000    
 C   -4.550400     -0.7576000      0.7949000    
 C   0.3765000      -3.456700      -1.858800    
 C   -5.379400       1.014200     -0.6411000    
 C   -5.611600     -3.5700001E-02  0.2433000    
 H    1.357800      0.1238000      -1.418800    
 H    1.969500      0.8344000       3.254500    
 H    3.044100      -1.194000     -9.2500001E-02
 H    1.174600      -1.398900       2.428600    
 H  -0.1067000     -0.2211000       2.575100    
 H    3.888800      0.9998000       1.690100    
 H    3.545700     -0.6893000       2.055300    
 H   0.3288000       2.156400       1.861300    
 H    1.984100       2.755000       1.692900    
 H   0.8273000       3.085400      -1.435100    
 H  -0.1829000       3.201800     -2.2800000E-02
 H    3.922300       1.668900     -0.7079000    
 H    3.748300      0.3887000      -1.885400    
 H  -0.3779000       1.170100      -2.301300    
 H   -1.490300       2.447300      -1.879800    
 H   -1.931600      -1.687800       1.446600    
 H    5.657600      0.2666000      0.5288000    
 H    5.460500     -0.9808000     -0.7145000    
 H   -3.913700       2.194700      -1.690100    
 H   -4.730900      -1.576700       1.482900    
 H    6.220600       1.728200      -1.124600    
 H    1.400100      -3.833300      -1.771400    
 H   0.1142000      -3.394900      -2.918200    
 H  -0.3278000      -4.129900      -1.360900    
 H   -6.219300       1.562400      -1.059500    
 H   -6.632200     -0.2991000      0.5083000    


%chk=000157061-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000157061

0 1
O 0.883351 -2.241972 -1.315743
O 0.113636 -3.095192 0.702643
O 6.310864 0.638402 -1.599437
N 1.216368 1.705930 0.105468
N -2.063214 -0.910275 0.851524
C 1.436750 0.300423 -0.286393
C 0.422535 -0.643238 0.471048
C 1.761936 0.624999 2.236827
C 2.892684 -0.107829 0.088785
C 0.787051 -0.558829 2.008781
C 3.130178 0.307307 1.579824
C 1.182702 1.900301 1.577365
C -1.017061 -0.209106 0.214318
C 0.317241 2.552218 -0.707359
C 3.913920 0.516313 -0.887963
C 0.470984 -2.111152 0.006312
C -1.565433 0.808898 -0.578384
C -0.813144 1.783357 -1.453600
C -3.007590 0.733305 -0.414678
C 5.362278 0.070180 -0.623396
C -3.290603 -0.360348 0.480416
C -4.091243 1.482231 -0.945774
C -4.606875 -0.719219 0.844311
C 0.831780 -3.615983 -1.876924
C -5.406679 1.131491 -0.584318
C -5.662232 0.041274 0.300350
H 1.297885 0.197711 -1.373856
H 1.883682 0.798607 3.322450
H 2.966633 -1.211609 -0.004718
H 1.249769 -1.504240 2.345637
H -0.129698 -0.413353 2.607504
H 3.769395 1.210538 1.628449
H 3.650607 -0.492821 2.138929
H 0.144219 2.075208 1.947548
H 1.786748 2.786737 1.865842
H 0.894119 3.130508 -1.461189
H -0.147064 3.289851 -0.024187
H 3.834454 1.621486 -0.813131
H 3.655554 0.238657 -1.929386
H -0.378038 1.258009 -2.327269
H -1.513820 2.530166 -1.874049
H -1.918885 -1.756381 1.403919
H 5.675067 0.327232 0.411088
H 5.465815 -1.021043 -0.754711
H -3.911751 2.319497 -1.630172
H -4.807093 -1.554897 1.524127
H 6.233297 1.625945 -1.572837
H 1.457292 -4.297782 -1.277163
H 1.219227 -3.514086 -2.899943
H -0.208242 -3.982457 -1.878433
H -6.251437 1.700746 -0.988132
H -6.697019 -0.207820 0.561177


