%chk=000131587.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131587

0 1
 O    1.118700     -0.1971000      0.5241000    
 O    2.739800       2.088900       1.061700    
 O    2.833700      -2.277500     -0.4117000    
 O   0.7890000      0.5982000      -1.611700    
 N    2.476800     -9.0499997E-02  0.2941000    
 N   -5.168000     -0.3123000      0.5592000    
 N   -6.119900      0.3115000     -0.2127000    
 C    4.586700      0.8054000      0.1671000    
 C    4.617800     -0.6442000     -0.3220000    
 C    3.159900       1.048800      0.5789000    
 C    3.207100      -1.142300     -0.1603000    
 C   -1.095300      5.8300000E-02 -0.2544000    
 C   0.3550000      0.1891000     -0.5455000    
 C   -1.978900      0.9230000     -0.8671000    
 C   -1.514300     -0.9245000      0.6188000    
 C   -3.790200     -0.1861000      0.2846000    
 C   -3.341400      0.7994000     -0.5945000    
 C   -2.876600      -1.048100      0.8913000    
 H    4.865800       1.500100     -0.6305000    
 H    5.249800      0.9490000       1.025100    
 H    5.297300      -1.252400      0.2822000    
 H    4.913100     -0.7025000      -1.373700    
 H   -1.640600       1.697100      -1.549600    
 H  -0.8236000      -1.615300       1.093000    
 H   -4.022500       1.493300      -1.079600    
 H   -3.214000      -1.822000       1.576000    
 H   -5.462800      -1.075000       1.158200    
 H   -6.962500      0.4339000      0.3470000    
 H   -6.378300     -0.3109000     -0.9774000    


%chk=000131587-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131587

0 1
O 1.157265 -0.390720 0.546362
O 2.775577 1.797339 1.543635
O 2.813730 -2.103344 -1.105779
O 0.864901 0.939804 -1.399034
N 2.538262 -0.210982 0.300796
N -5.239104 -0.424168 0.519636
N -6.226156 0.131008 -0.293277
C 4.695038 0.730874 0.327130
C 4.708065 -0.554960 -0.543592
C 3.254368 0.899021 0.823579
C 3.274309 -1.097824 -0.530362
C -1.091509 0.094387 -0.188262
C 0.328065 0.303532 -0.476625
C -2.047596 0.691550 -1.059791
C -1.551717 -0.675360 0.918761
C -3.878133 -0.239584 0.266644
C -3.421628 0.531762 -0.842305
C -2.923368 -0.841183 1.144277
H 4.973411 1.634844 -0.240325
H 5.368680 0.669577 1.198677
H 5.387038 -1.332994 -0.155002
H 4.996267 -0.360695 -1.590378
H -1.686506 1.281598 -1.908955
H -0.825833 -1.137156 1.592936
H -4.164299 0.985200 -1.503227
H -3.268254 -1.435447 1.999652
H -5.506705 -0.992229 1.329930
H -6.749997 0.915697 0.097222
H -6.732571 -0.514246 -0.901723


