%chk=000062440.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000062440

0 1
 O    3.797400     -0.1874000     -0.3736000    
 O   -3.198800      0.5750000      -1.423200    
 O   -2.981300       1.254200      0.6616000    
 N    1.052700      0.2230000      0.2584000    
 N   -2.604700      0.6265000     -0.3376000    
 C  -0.2395000      0.8756000      5.8300000E-02
 C   -1.344600     -0.1465000     -0.2142000    
 C    1.462600     -0.5046000     -0.9507000    
 C    2.081500       1.205100      0.6280000    
 C    2.818100      -1.166900     -0.7216000    
 C    3.423000      0.5032000      0.8190000    
 C   -1.529900      -1.175100      0.9058000    
 C   -2.736700      -2.082100      0.6897000    
 H  -0.1887000       1.604300     -0.7632000    
 H  -0.4795000       1.447600      0.9649000    
 H   -1.212000     -0.6503000      -1.178000    
 H    1.529800      0.1806000      -1.805700    
 H   0.7639000      -1.305900      -1.206800    
 H    1.809800       1.709400       1.562400    
 H    2.177900       1.968200     -0.1554000    
 H    2.768400      -1.930400      6.4400002E-02
 H    3.153100      -1.659000      -1.640300    
 H    4.202400       1.241000       1.034700    
 H    3.394200     -0.2034000       1.657500    
 H   -1.630000     -0.6824000       1.881400    
 H  -0.6376000      -1.809100      0.9699000    
 H   -2.696000      -2.562700     -0.2930000    
 H   -3.682600      -1.538800      0.7737000    
 H   -2.747400      -2.871500       1.448800    


%chk=000062440-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000062440

0 1
O 3.892747 -0.243177 -0.282716
O -3.282991 0.170883 -1.666385
O -3.116433 1.461330 0.208337
N 1.042807 0.210192 0.017969
N -2.699178 0.526925 -0.575510
C -0.269204 0.872202 -0.112310
C -1.403831 -0.191197 -0.181015
C 1.621081 -0.214128 -1.284365
C 2.034675 0.995960 0.800216
C 2.907435 -1.023176 -1.048742
C 3.309103 0.160961 1.007002
C -1.608112 -0.932875 1.154436
C -2.615721 -2.097352 1.070525
H -0.322640 1.531736 -1.011474
H -0.449826 1.508683 0.772071
H -1.230152 -0.904449 -1.004816
H 1.853691 0.671159 -1.927073
H 0.891417 -0.842874 -1.828086
H 1.597572 1.251326 1.783554
H 2.305670 1.948611 0.281971
H 2.662735 -1.959556 -0.502092
H 3.402167 -1.268625 -2.002685
H 4.091385 0.749116 1.514182
H 3.069259 -0.741930 1.609485
H -1.927496 -0.197952 1.917962
H -0.606579 -1.301781 1.444510
H -2.305478 -2.843067 0.315226
H -3.628135 -1.745404 0.801150
H -2.690469 -2.613942 2.043873


