%chk=000029608.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029608

0 1
 O    3.261300     -0.7942000      8.7499999E-02
 O    1.843400      0.9267000     -0.4205000    
 O   -4.477200     -0.5827000      0.1509000    
 N    6.825900      7.6399997E-02 -0.2628000    
 N    1.054400      -1.175100      0.2431000    
 C    7.104100      0.9921000      0.8526000    
 C    7.988700     -0.7736000     -0.5549000    
 C    8.299800       1.893500      0.5414000    
 C    9.213300      7.0200004E-02 -0.9123000    
 C    9.535800       1.073500      0.1891000    
 C    5.652100     -0.7454000      3.0600000E-02
 C    4.373300      4.6100002E-02 -0.1921000    
 C    2.016300     -0.2326000     -6.4700000E-02
 C  -0.3508000      -1.024000      0.2205000    
 C  -0.9154000      0.1972000     -0.1482000    
 C   -1.173100      -2.096600      0.5660000    
 C   -3.124300     -0.7272000      0.1741000    
 C   -4.987800      0.6925000     -0.2355000    
 C   -2.302200      0.3456000     -0.1713000    
 C   -2.559600      -1.948100      0.5428000    
 C   -6.486500      0.6608000     -0.1683000    
 C   -7.226800      0.2795000      -1.287500    
 C   -7.139500       1.012200       1.013200    
 C   -8.620000      0.2498000      -1.225200    
 C   -8.532600      0.9823000       1.075400    
 C   -9.272800      0.6011000     -4.3800000E-02
 H    6.249000       1.647400       1.047300    
 H    7.300900      0.4331000       1.777200    
 H    8.222700      -1.421300      0.3004000    
 H    7.769400      -1.426400      -1.408600    
 H    8.515700       2.533500       1.404400    
 H    8.051100       2.558200     -0.2957000    
 H    9.028800      0.6059000      -1.852200    
 H    10.07670     -0.5832000      -1.081200    
 H    9.886700      0.5388000       1.080200    
 H    10.34800       1.735400     -0.1306000    
 H    5.611200      -1.611800     -0.6439000    
 H    5.681300      -1.168300       1.043600    
 H    4.320300      0.9168000      0.4696000    
 H    4.316700      0.3867000      -1.233300    
 H    1.395900      -2.092000      0.5208000    
 H  -0.3418000       1.069900     -0.4286000    
 H  -0.7460000      -3.053500      0.8550000    
 H   -4.630400       1.479300      0.4420000    
 H   -4.687900      0.9367000      -1.263300    
 H   -2.671100       1.320800     -0.4700000    
 H   -3.195100      -2.787100      0.8127000    
 H   -6.729900      1.1000000E-03  -2.213100    
 H   -6.574300       1.308500       1.892900    
 H   -9.196400     -4.7600001E-02  -2.096200    
 H   -9.041200       1.255200       1.995400    
 H   -10.35750      0.5776000      4.9000001E-03


%chk=000029608-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000029608

0 1
O 3.315443 -0.701501 0.226068
O 1.947025 0.931078 -0.786083
O -4.562567 -0.466897 0.208452
N 6.978668 -0.026749 -0.102667
N 1.077091 -0.926028 0.408528
C 7.315548 1.089025 0.819600
C 8.132443 -0.943164 -0.294809
C 8.507290 1.909758 0.286918
C 9.349298 -0.183512 -0.863097
C 9.734185 0.999127 0.054079
C 5.730539 -0.727999 0.278556
C 4.513384 0.023112 -0.276435
C 2.075345 -0.125744 -0.117874
C -0.330996 -0.737246 0.313594
C -0.923822 0.344353 -0.382616
C -1.167143 -1.694042 0.952506
C -3.156211 -0.490368 0.202758
C -5.220331 0.650342 -0.482015
C -2.330159 0.464718 -0.437121
C -2.564625 -1.573214 0.898410
C -6.721845 0.521492 -0.303804
C -7.586428 1.150942 -1.233691
C -7.278249 -0.178544 0.793775
C -8.987515 1.093959 -1.063036
C -8.680315 -0.241908 0.960023
C -9.539749 0.396387 0.036286
H 6.430019 1.741047 0.931716
H 7.567872 0.696056 1.841120
H 8.428637 -1.433739 0.671010
H 7.826458 -1.745161 -0.992220
H 8.748585 2.715740 1.006388
H 8.212900 2.386961 -0.667559
H 9.089081 0.198638 -1.869105
H 10.198834 -0.884107 -0.977332
H 10.092073 0.607610 1.029137
H 10.568040 1.576544 -0.387734
H 5.743252 -1.745464 -0.152900
H 5.621802 -0.844033 1.384109
H 4.469494 1.071286 0.068719
H 4.511434 0.019210 -1.379858
H 1.407760 -1.744393 0.923764
H -0.286085 1.081169 -0.875427
H -0.721149 -2.537625 1.494208
H -4.857334 1.607176 -0.046698
H -4.953342 0.640224 -1.559278
H -2.758916 1.308281 -0.985695
H -3.214382 -2.306249 1.385514
H -7.166869 1.685277 -2.095870
H -6.608578 -0.679360 1.498766
H -9.645324 1.584518 -1.789250
H -9.101477 -0.790055 1.810482
H -10.626486 0.346773 0.167488


