%chk=000023188.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023188

0 1
 O  -0.1345000      -1.149800       1.972800    
 O    3.725600      -1.174700     -0.4773000    
 O  -0.2150000      -2.197200      -2.553400    
 N   -2.479200     -0.7589000      0.2126000    
 N  -0.2899000      -1.524400     -0.3191000    
 N    1.731800      -1.568900      -1.536000    
 C    1.692500     -0.3536000      0.5891000    
 C   -2.371900      0.3251000     -0.7740000    
 C   -3.881000      -1.143900      0.4285000    
 C   -3.151900       1.560900     -0.3228000    
 C   -4.710300      4.3900002E-02  0.9193000    
 C   -1.690200      -1.915600     -0.2107000    
 C   -4.611800       1.223300     -4.1499998E-02
 C   0.3494000      -1.059200      0.8426000    
 C    2.500600     -0.3861000       1.906800    
 C    1.495700       1.128500      0.1955000    
 C    2.499300      -1.075900     -0.4941000    
 C   0.3548000      -1.772300      -1.545100    
 C    2.766900      -1.809200       2.347300    
 C    2.029400       1.597400     -0.9980000    
 C   0.7870000       1.973800       1.039600    
 C    1.851800       2.934600      -1.353400    
 C   0.6093000       3.310900      0.6840000    
 C    1.141700       3.791200     -0.5124000    
 H   -2.744900     -3.8999999E-03  -1.753200    
 H   -1.334800      0.6435000     -0.9179000    
 H   -3.936000      -1.934500       1.186700    
 H   -4.322800      -1.544800     -0.4933000    
 H   -3.094800       2.337100      -1.094300    
 H   -2.691500       1.975600      0.5829000    
 H   -4.359100      0.3515000       1.912600    
 H   -5.758300     -0.2565000       1.029600    
 H   -1.741600      -2.698500      0.5564000    
 H   -2.068900      -2.342100      -1.146300    
 H   -5.125400       2.095000      0.3785000    
 H   -5.117400      0.9726000     -0.9820000    
 H    1.978400      0.1302000       2.721800    
 H    3.460900      0.1330000       1.784700    
 H    2.237600      -1.901400      -2.352300    
 H    1.860700      -2.380600       2.561700    
 H    3.361500      -2.381600       1.631000    
 H    3.344900      -1.789900       3.278800    
 H    2.598000      0.9879000      -1.690300    
 H   0.3555000       1.620800       1.971300    
 H    2.267400       3.310000      -2.284000    
 H   5.3700000E-02   3.977300       1.337300    
 H    1.002900       4.832200     -0.7894000    


%chk=000023188-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000023188

0 1
O -0.172792 -1.165367 1.903522
O 3.782713 -0.852545 -0.752355
O -0.251663 -2.077196 -2.672910
N -2.564979 -0.746078 -0.126516
N -0.258892 -1.557440 -0.378509
N 1.738152 -1.417490 -1.669708
C 1.764802 -0.399589 0.605455
C -3.163909 -0.268381 -1.396995
C -3.501793 -0.734210 1.023369
C -3.728550 1.157217 -1.231653
C -4.072879 0.682365 1.240430
C -1.718990 -1.924005 -0.244922
C -4.728750 1.219149 -0.053399
C 0.396947 -1.088721 0.783977
C 2.620066 -0.585583 1.897510
C 1.521226 1.125506 0.341871
C 2.533113 -0.920395 -0.625119
C 0.356850 -1.692000 -1.639756
C 2.962930 -2.052698 2.228172
C 2.640827 1.957143 0.077622
C 0.226398 1.701435 0.384689
C 2.469631 3.342757 -0.125319
C 0.061695 3.090626 0.179468
C 1.178428 3.917340 -0.072636
H -3.986708 -0.951226 -1.730591
H -2.386605 -0.288151 -2.181597
H -2.946574 -1.063577 1.919404
H -4.353265 -1.443656 0.861285
H -4.215202 1.470459 -2.175101
H -2.887658 1.853633 -1.043295
H -3.247098 1.354753 1.546082
H -4.806402 0.657853 2.068991
H -1.797500 -2.539135 0.665772
H -1.944859 -2.536976 -1.137098
H -5.087538 2.254993 0.096218
H -5.619049 0.602121 -0.296671
H 2.052219 -0.132196 2.728646
H 3.551031 -0.007556 1.767420
H 2.206958 -1.631279 -2.556040
H 2.052133 -2.652156 2.403382
H 3.554432 -2.521834 1.421609
H 3.568890 -2.096607 3.150857
H 3.642981 1.518870 0.013484
H -0.659719 1.083507 0.570944
H 3.343688 3.971463 -0.328161
H -0.944346 3.524175 0.218778
H 1.045707 4.993480 -0.230005


