%chk=000064897.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064897

0 1
 O   0.3089000      -2.816400      -1.487500    
 O    6.327600      0.4040000       1.689400    
 O   -4.886700       2.347700      -1.561600    
 O   -5.453000     -0.3576000       2.350100    
 O   -6.240800       1.791400      0.7894000    
 N    4.528300     -0.4826000     -0.1980000    
 N    1.861200      -1.517700     -0.3477000    
 N    6.906800       2.168300      0.2946000    
 C    3.378400      0.3732000      0.1291000    
 C    4.164100      -1.458700      -1.235300    
 C    2.193300     -0.4633000      0.6149000    
 C    2.999000      -2.332100     -0.7717000    
 C    5.665100      0.3284000     -0.6323000    
 C   0.5735000      -1.852900     -0.7640000    
 C  -0.5434000     -0.9592000     -0.2869000    
 C   -1.883000      -1.447500     -0.8189000    
 C    6.315500      0.9479000      0.5875000    
 C   -3.044800     -0.5844000     -0.3902000    
 C   -3.724400     -0.8678000      0.7944000    
 C   -3.438700      0.4967000      -1.178600    
 C   -4.512100       1.294600     -0.7825000    
 C   -4.797900     -6.9899999E-02   1.190700    
 C   -5.191700       1.011100      0.4021000    
 C    7.620700       2.958300       1.272300    
 C   -4.139400       2.568000      -2.756100    
 C   -4.986700      -1.479600       3.096700    
 H    3.636700       1.084900      0.9218000    
 H    3.071300      0.9578000     -0.7486000    
 H    3.892300     -0.9458000      -2.167600    
 H    5.016800      -2.112600      -1.453900    
 H    1.344900      0.1959000      0.8078000    
 H    2.438400     -0.9605000       1.561600    
 H    3.295600      -2.946100      8.7600000E-02
 H    2.706900      -3.015400      -1.575800    
 H    5.373300       1.086300      -1.369000    
 H    6.440600     -0.2986000      -1.090700    
 H  -0.3541000      6.2700003E-02 -0.6357000    
 H  -0.5598000     -0.9606000      0.8090000    
 H   -1.863600      -1.493900      -1.916400    
 H   -2.068400      -2.480200     -0.4931000    
 H    6.877500       2.520600     -0.6575000    
 H   -3.370800      -1.718900       1.366600    
 H   -2.870600      0.6693000      -2.086700    
 H    7.365200       4.009200       1.117800    
 H    8.691800       2.815800       1.109900    
 H    7.358100       2.655300       2.288700    
 H   -6.586100       1.445400       1.630700    
 H   -3.094000       2.813100      -2.539200    
 H   -4.236000       1.729100      -3.453700    
 H   -4.573900       3.443100      -3.250700    
 H   -5.103400      -2.414100       2.537200    
 H   -3.961400      -1.330500       3.452300    
 H   -5.621400      -1.561100       3.985200    


%chk=000064897-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000064897

0 1
O 0.492775 -2.903551 -1.501411
O 5.950542 1.152400 1.740154
O -4.831982 2.521556 -1.341035
O -5.734167 -0.462960 2.220776
O -6.267406 1.768017 0.859427
N 4.538997 -0.448472 -0.197994
N 1.908806 -1.590943 -0.208052
N 7.174920 2.177029 0.044819
C 3.361400 0.397995 0.099682
C 4.202351 -1.540158 -1.143339
C 2.228586 -0.465889 0.693577
C 3.081221 -2.419517 -0.559975
C 5.733435 0.300118 -0.591244
C 0.652733 -1.915019 -0.713554
C -0.532804 -1.037847 -0.276701
C -1.870675 -1.542848 -0.873788
C 6.270071 1.236328 0.519240
C -3.048018 -0.686566 -0.429219
C -3.813156 -1.054430 0.704276
C -3.370060 0.503917 -1.126468
C -4.440129 1.334624 -0.707597
C -4.876973 -0.227130 1.119225
C -5.203121 0.968819 0.430759
C 7.872084 3.115097 0.932773
C -4.082984 2.919018 -2.532549
C -5.518806 -1.683164 2.996526
H 3.654253 1.158288 0.842588
H 2.983625 0.915132 -0.821158
H 3.872886 -1.145162 -2.138784
H 5.102446 -2.162776 -1.304719
H 1.337369 0.156444 0.863323
H 2.572294 -0.863213 1.669565
H 3.456787 -2.924068 0.352341
H 2.747637 -3.178410 -1.286067
H 5.583391 0.910551 -1.524649
H 6.534345 -0.431218 -0.820468
H -0.364556 0.012276 -0.588557
H -0.604899 -1.022061 0.828978
H -1.782434 -1.551768 -1.974902
H -2.015174 -2.595468 -0.572708
H 7.362026 2.216116 -0.958857
H -3.575864 -1.980046 1.238303
H -2.783953 0.771787 -2.011626
H 7.630753 4.164304 0.680573
H 8.968051 2.976825 0.884033
H 7.531263 2.908753 1.960054
H -6.668869 1.325718 1.655128
H -3.015329 3.102248 -2.298887
H -4.160203 2.156870 -3.332928
H -4.554599 3.855252 -2.865592
H -5.644272 -2.582926 2.364161
H -4.511844 -1.688737 3.456336
H -6.287069 -1.671035 3.783712


