%chk=000020323.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020323

0 1
 O    6.397900      0.3705000      0.6741000    
 O    5.379200       2.280900      0.2864000    
 N   0.5944000      -1.732500     -0.6795000    
 N   -3.029100     -0.1872000       1.249900    
 N   -3.013500      0.7336000     -0.9770000    
 N   -1.078900     -0.1622000     -3.0099999E-02
 N    5.375600       1.029400      0.3682000    
 N   -1.586200      -2.316700     -0.9447000    
 C    1.794300      -1.039400     -0.4168000    
 C    2.947000      -1.745900     -7.4400000E-02
 C    1.828000      0.3526000     -0.4992000    
 C    4.167600      0.3316000      0.1033000    
 C    4.133700      -1.060500      0.1858000    
 C    3.014600       1.038300     -0.2391000    
 C   -4.341100      0.1180000       1.327000    
 C   -4.325900       1.010600     -0.8315000    
 C   -5.048500      0.7228000      0.3083000    
 C  -0.7230000      -1.325800     -0.5108000    
 C   -2.444300      0.1450000      8.7499999E-02
 C   -5.037600     -0.2294000       2.599500    
 C   -5.004000       1.666300      -1.987000    
 H    2.933600      -2.830800     -5.7999999E-03
 H   0.9652000      0.9372000     -0.8006000    
 H   0.7401000      -2.714500     -0.8990000    
 H    5.011800      -1.644300      0.4499000    
 H    3.005900       2.122200     -0.3213000    
 H   -6.102400      0.9570000      0.3977000    
 H   -5.857100     -0.9290000       2.406600    
 H   -4.349700     -0.7026000       3.307900    
 H   -5.440500      0.6723000       3.071600    
 H   -4.304500       1.828500      -2.813700    
 H   -5.821400       1.038100      -2.355400    
 H   -5.406800       2.639800      -1.689900    
 H   -2.593500      -2.205500     -0.9096000    
 H   -1.236200      -3.192600      -1.317600    


%chk=000020323-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000020323

0 1
O 6.439745 0.524986 -0.987573
O 5.135292 2.295835 -1.601465
N 0.698504 -1.828798 0.547297
N -3.432139 -0.877730 0.522797
N -2.702302 1.245289 -0.437215
N -1.104856 -0.368121 0.099485
N 5.287721 1.104489 -1.118656
N -1.488918 -2.540653 1.049697
C 1.790366 -1.044957 0.114689
C 3.085603 -1.634422 0.237002
C 1.663309 0.269250 -0.422968
C 4.087515 0.365914 -0.694839
C 4.232293 -0.937371 -0.164166
C 2.814199 0.966718 -0.824230
C -4.735995 -0.466584 0.463216
C -4.003852 1.646851 -0.493456
C -5.063286 0.808313 -0.047604
C -0.676511 -1.544785 0.555546
C -2.443406 -0.009064 0.068746
C -5.780930 -1.435235 0.966600
C -4.254687 3.025905 -1.056488
H 3.188310 -2.646125 0.650096
H 0.663187 0.699192 -0.508248
H 0.955226 -2.749867 0.908672
H 5.230244 -1.374211 -0.077533
H 2.740652 1.975445 -1.239114
H -6.102784 1.141070 -0.098239
H -6.797494 -1.023044 0.861452
H -5.725939 -2.386888 0.407490
H -5.605534 -1.672238 2.031881
H -3.874771 3.085488 -2.092098
H -5.326400 3.284322 -1.052193
H -3.699029 3.779847 -0.471264
H -2.506537 -2.269551 1.026783
H -1.142095 -3.433471 1.396600


