%chk=000021138.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021138

0 1
 O  -0.4094000       1.478100      0.6794000    
 O   -2.805400       2.027200       1.979400    
 N   -2.971200     -0.4984000     -0.7232000    
 C   -2.808100       1.576300      0.6219000    
 C   -2.994200      5.7200000E-02  0.6231000    
 C   -3.093400      -1.949500     -0.6899000    
 C   -1.508600       2.025900     -4.2399999E-02
 C   -1.945000      -2.559000      0.1092000    
 C   -3.116000      -2.490000      -2.116200    
 C   0.7215000       1.199700     -3.4400001E-02
 C    1.585000      0.1579000      0.3415000    
 C    2.745200     -9.1399997E-02 -0.4297000    
 C   0.9980000       1.984800      -1.154000    
 C    1.322400     -0.6422000       1.465600    
 C    3.007700      0.7084000      -1.553900    
 C    2.138700       1.739400      -1.912600    
 C    3.608700      -1.133300     -5.4099999E-02
 C    2.191600      -1.673000       1.824300    
 C    3.332600      -1.918000       1.065900    
 H   -3.652600       2.058300      0.1152000    
 H   -3.944300     -0.1830000       1.118100    
 H   -2.207100     -0.3543000       1.262800    
 H   -4.042400      -2.232900     -0.2168000    
 H   -3.728400     -9.5399998E-02  -1.274300    
 H   -1.435900       3.118700      1.3100000E-02
 H   -1.527400       1.715500      -1.094100    
 H   -1.908000      -3.643500     -4.8500001E-02
 H  -0.9744000      -2.156300     -0.2019000    
 H   -2.058100      -2.416300       1.188200    
 H   -3.951500      -2.067000      -2.685300    
 H   -3.234700      -3.579000      -2.116700    
 H   -2.188400      -2.253100      -2.649700    
 H   -3.657100       1.773100       2.374000    
 H   0.3761000       2.823000      -1.453500    
 H   0.4391000     -0.4781000       2.078800    
 H    3.894600      0.5359000      -2.160100    
 H    2.358700       2.355900      -2.779300    
 H    4.506200      -1.343000     -0.6323000    
 H    1.976700      -2.284900       2.695600    
 H    4.008500      -2.720900       1.345600    


%chk=000021138-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000021138

0 1
O -0.451451 0.880420 0.412570
O -2.594880 2.136641 1.933142
N -3.569365 -0.531335 -0.568103
C -2.792224 1.510368 0.617118
C -3.188149 0.019356 0.744573
C -3.356410 -1.991365 -0.783124
C -1.506913 1.714676 -0.179684
C -1.857059 -2.296721 -0.992925
C -4.184835 -2.430887 -2.007690
C 0.805683 0.885751 -0.199297
C 1.799794 0.064060 0.451900
C 3.123053 -0.011892 -0.128588
C 1.120090 1.609519 -1.357576
C 1.511635 -0.667892 1.648085
C 3.419051 0.733320 -1.319673
C 2.435982 1.526018 -1.910810
C 4.106886 -0.834921 0.513556
C 2.494396 -1.459683 2.249979
C 3.801931 -1.546661 1.676496
H -3.599287 2.045051 0.063171
H -4.002077 -0.065981 1.510290
H -2.317970 -0.533374 1.134367
H -3.711154 -2.577334 0.101683
H -4.516933 -0.245591 -0.847412
H -1.207491 2.780155 -0.140496
H -1.689809 1.399976 -1.225543
H -1.693193 -3.386558 -1.084476
H -1.497310 -1.802924 -1.913646
H -1.239835 -1.928948 -0.154330
H -5.268529 -2.272238 -1.843086
H -4.028199 -3.503085 -2.218809
H -3.878967 -1.852787 -2.899344
H -3.331769 1.858689 2.534929
H 0.374661 2.238904 -1.850719
H 0.512388 -0.582217 2.084636
H 4.423872 0.672651 -1.752601
H 2.662670 2.098658 -2.817098
H 5.109866 -0.894310 0.073934
H 2.267111 -2.013943 3.167398
H 4.564440 -2.170767 2.156002


