%chk=000098074.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000098074

0 1
 O    4.863900     -0.3987000     -1.9500000E-02
 O   -4.863700     -0.3989000      2.2000000E-02
 N    1.444700      0.5132000      4.9699999E-02
 N   -1.444700      0.5135000     -4.9899999E-02
 C    3.547100     -0.7130000      0.4033000    
 C   -3.547500     -0.7121000     -0.4036000    
 C    2.722600      0.5124000      0.7591000    
 C   -2.723500      0.5143000     -0.7575000    
 C   0.6709000     -0.6931000      0.3677000    
 C   0.6707000       1.718600      0.3710000    
 C  -0.6712000     -0.6919000     -0.3722000    
 C  -0.6709000       1.719200     -0.3700000    
 C    3.968500     -0.9405000     -0.9991000    
 C   -3.966800     -0.9431000      0.9990000    
 H    3.405800      -1.557100       1.063300    
 H   -3.407200      -1.554500      -1.065900    
 H    3.287100       1.415000      0.4915000    
 H    2.580400      0.5350000       1.847200    
 H   -3.287700       1.416100     -0.4868000    
 H   -2.582800      0.5396000      -1.845700    
 H   0.4953000     -0.7724000       1.449300    
 H    1.202200      -1.599100      5.5599999E-02
 H    1.231400       2.611300      6.8099998E-02
 H   0.4945000       1.794600       1.452600    
 H  -0.4958000     -0.7677000      -1.454100    
 H   -1.202500      -1.599000     -6.2899999E-02
 H   -1.231400       2.611500     -6.5700002E-02
 H  -0.4949000       1.796700      -1.451500    
 H    4.140900      -1.958800      -1.322900    
 H    3.620800     -0.2732000      -1.777000    
 H   -4.138600      -1.962300       1.320500    
 H   -3.618100     -0.2778000       1.777900    


%chk=000098074-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000098074

0 1
O 5.191473 -0.362876 0.265920
O -5.191548 -0.362600 -0.266344
N 1.454894 0.355389 0.046675
N -1.455019 0.355475 -0.046664
C 3.717246 -0.707504 0.199282
C -3.717279 -0.707265 -0.200976
C 2.784507 0.380235 0.707146
C -2.784757 0.381608 -0.706828
C 0.671512 -0.863371 0.372852
C 0.666928 1.570277 0.381251
C -0.671647 -0.862579 -0.375430
C -0.667089 1.571054 -0.378807
C 4.490778 -0.517629 -1.065690
C -4.490353 -0.520117 1.064683
H 3.514946 -1.735878 0.527120
H -3.515022 -1.734930 -0.531061
H 3.259630 1.354898 0.489346
H 2.699214 0.296727 1.821473
H -3.259906 1.355778 -0.486902
H -2.699700 0.300397 -1.821341
H 0.473367 -0.935158 1.473212
H 1.245266 -1.756909 0.067993
H 1.254366 2.462447 0.094267
H 0.455900 1.631493 1.479046
H -0.473487 -0.932040 -1.475935
H -1.245386 -1.756767 -0.072463
H -1.254527 2.462637 -0.090003
H -0.456105 1.634496 -1.476486
H 4.803038 -1.390850 -1.651064
H 4.357817 0.414810 -1.627987
H -4.802335 -1.394592 1.648330
H -4.357222 0.411142 1.628885


