%chk=000095422.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095422

0 1
 O   -1.365200     -0.1494000     -0.1617000    
 O   -1.254000       1.715500       1.177400    
 O    1.331700      -1.882000       1.388000    
 N    1.179700     -0.4143000     -0.4137000    
 N    1.687800       2.916900     -0.8903000    
 C   0.7939000      0.7626000      0.3182000    
 C  -0.7107000      0.8355000      0.5171000    
 C   -2.793900     -0.1224000     -7.4299999E-02
 C    1.417100      -1.643200      0.1862000    
 C   -3.358800      -1.274400     -0.8778000    
 C    1.780600      -2.709800     -0.8117000    
 C    1.291900       1.965000     -0.3574000    
 H    1.232800      0.6880000       1.320500    
 H    1.225400     -0.3540000      -1.427700    
 H   -3.097100     -0.2187000      0.9742000    
 H   -3.166200      0.8267000     -0.4757000    
 H   -4.451300      -1.284600     -0.8323000    
 H   -3.048900      -1.201700      -1.925500    
 H   -2.979900      -2.229800     -0.5001000    
 H    2.202500      -3.573200     -0.2900000    
 H   0.8835000      -3.018900      -1.355100    
 H    2.523900      -2.332400      -1.519900    


%chk=000095422-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000095422

0 1
O -1.595865 -0.003046 -0.304157
O -1.277178 1.027197 1.769651
O 2.732359 -1.179537 1.242699
N 1.037550 -0.783489 -0.296740
N 1.219284 2.564619 -1.284766
C 0.671379 0.492749 0.320625
C -0.828433 0.546350 0.712890
C -3.085374 0.008839 -0.097764
C 2.074609 -1.556523 0.229799
C -3.707486 -0.628415 -1.333605
C 2.347658 -2.862607 -0.502147
C 0.978401 1.646072 -0.563342
H 1.272940 0.579301 1.247231
H 0.488034 -1.100317 -1.097071
H -3.302780 -0.549471 0.830104
H -3.394790 1.059455 0.044148
H -4.807803 -0.631437 -1.232129
H -3.446993 -0.062933 -2.244195
H -3.370559 -1.671814 -1.457018
H 3.373178 -2.836698 -0.909432
H 2.304522 -3.695233 0.220074
H 1.642148 -3.061662 -1.326454


