%chk=000004828.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004828

0 1
 O  -0.1604000      -1.620900     -0.5169000    
 O    2.256900      -2.904400      -1.152900    
 N    2.570400      0.2789000      0.7112000    
 N   -2.839800       2.180900     -0.4326000    
 C    2.144900      -2.053800     -8.2000000E-03
 C    2.592200     -0.6472000     -0.4129000    
 C    3.053600       1.593800      0.3124000    
 C   0.7064000      -2.106700      0.5016000    
 C   -1.607200      0.3212000     -0.4319000    
 C   -1.319500      -1.018900     -0.1051000    
 C    4.491200       1.499100     -0.1908000    
 C    2.948700       2.553200       1.493800    
 C   -2.805400      0.8802000      1.7600000E-02
 C  -0.9252000       1.331000      -1.167000    
 C   -2.238800      -1.748200      0.6577000    
 C   -3.733800      0.1634000      0.7806000    
 C   -1.707900       2.462400      -1.149600    
 C   -3.426700      -1.164000       1.092900    
 H    2.811100      -2.457700      0.7635000    
 H    1.969700     -0.2793000      -1.237400    
 H    3.600700     -0.7628000     -0.8244000    
 H    2.420800       1.994500     -0.4893000    
 H    3.142300     -8.9699998E-02   1.470900    
 H   0.6055000      -1.524400       1.426000    
 H   0.4305000      -3.147100      0.7098000    
 H    4.927100       2.501200     -0.2813000    
 H    5.130000      0.9314000      0.4956000    
 H    4.558600       1.050700      -1.186800    
 H    1.915000       2.624200       1.850500    
 H    3.268700       3.560200       1.205200    
 H    3.575100       2.229400       2.332800    
 H   3.3300001E-02   1.242900      -1.659300    
 H   -2.039800      -2.786000      0.9138000    
 H    3.191100      -2.912400      -1.422900    
 H   -3.592200       2.832800     -0.2587000    
 H   -4.659100      0.6170000       1.119400    
 H   -1.560300       3.441300      -1.583600    
 H   -4.127600      -1.749200       1.682800    


%chk=000004828-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004828

0 1
O 0.060401 -0.897374 -0.398186
O 1.984050 -2.868830 -1.456769
N 3.225086 -0.159321 0.875095
N -3.546720 1.904856 -1.311815
C 2.153379 -2.126696 -0.196763
C 2.919723 -0.800098 -0.415446
C 3.295033 1.325462 0.897072
C 0.762291 -1.915566 0.395911
C -1.856553 0.484051 -0.760012
C -1.216052 -0.513838 0.029289
C 4.447242 1.911530 0.034281
C 3.400490 1.797384 2.361303
C -3.163014 0.937258 -0.374099
C -1.474045 1.206204 -1.952463
C -1.886144 -1.032659 1.158393
C -3.847781 0.431176 0.758043
C -2.526819 2.064903 -2.264308
C -3.185434 -0.557447 1.508093
H 2.721449 -2.751588 0.531777
H 2.272254 -0.126882 -1.003426
H 3.826178 -1.015890 -1.037108
H 2.331606 1.684651 0.482969
H 4.029915 -0.584803 1.355382
H 0.872652 -1.562194 1.439545
H 0.199761 -2.869296 0.368562
H 4.405502 3.016785 0.013394
H 5.431827 1.614654 0.446173
H 4.387169 1.551120 -1.009335
H 2.549042 1.415293 2.950094
H 3.407683 2.900571 2.420927
H 4.336980 1.429862 2.826477
H -0.547099 1.090886 -2.508781
H -1.423409 -1.804094 1.779836
H 2.837984 -2.845656 -1.959676
H -4.430491 2.408366 -1.303617
H -4.844647 0.784801 1.040917
H -2.632185 2.770679 -3.086240
H -3.677202 -0.981257 2.391011


