%chk=000003616.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003616

0 1
 O    4.275400      -1.230500      -1.118200    
 O   -4.271600      -1.224200       1.124300    
 N    3.501300      0.2149000      0.5359000    
 N   -3.510000      0.2118000     -0.5436000    
 C   0.7260000       1.347600      0.2925000    
 C  -0.6969000       1.301700     -0.2699000    
 C    1.766200       1.308100     -0.8322000    
 C   -1.781800       1.331500      0.8130000    
 C    3.197600       1.339600     -0.3055000    
 C   -3.214100       1.346400      0.2869000    
 C    4.017400     -0.9821000      5.6600001E-02
 C   -4.016600     -0.9848000     -5.2999999E-02
 C    4.266400      -1.982700       1.153200    
 C   -4.259200      -1.997200      -1.140000    
 H   0.8672000      0.4976000      0.9701000    
 H   0.8585000       2.260800      0.8850000    
 H  -0.8105000      0.3935000     -0.8743000    
 H  -0.8454000       2.153100     -0.9456000    
 H    1.615400       2.165100      -1.499500    
 H    1.617400      0.4021000      -1.432600    
 H   -1.648400      0.4589000       1.465200    
 H   -1.635100       2.218200       1.441700    
 H    3.897500       1.353200      -1.148200    
 H    3.366900       2.245600      0.2861000    
 H   -3.915500       1.368100       1.128100    
 H   -3.384700       2.243800     -0.3171000    
 H    3.329600      0.3117000       1.532600    
 H   -3.337400      0.3000000      -1.541000    
 H    4.441800      -2.970200      0.7176000    
 H    5.145600      -1.680500       1.728600    
 H    3.399200      -2.042800       1.817200    
 H   -4.427200      -2.981900     -0.6951000    
 H   -5.141000      -1.706800      -1.717400    
 H   -3.392100      -2.057300      -1.803900    


%chk=000003616-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003616

0 1
O 4.525984 -0.927145 -1.113499
O -4.541169 -0.910082 1.124827
N 3.568823 0.176560 0.695882
N -3.565334 0.160147 -0.694916
C 0.699571 1.387134 0.320712
C -0.698176 1.379712 -0.338989
C 1.852210 1.392499 -0.706648
C -1.850720 1.400646 0.688352
C 3.263166 1.398131 -0.071338
C -3.261839 1.393764 0.053519
C 4.182344 -0.921026 0.108613
C -4.187306 -0.925470 -0.094271
C 4.423874 -2.115312 1.030359
C -4.425275 -2.134220 -0.997901
H 0.789515 0.496444 0.976511
H 0.787058 2.276815 0.980469
H -0.786077 0.477272 -0.978832
H -0.787753 2.257317 -1.014441
H 1.765193 2.289607 -1.353692
H 1.773982 0.511574 -1.372834
H -1.770828 0.531086 1.369167
H -1.764693 2.308610 1.320201
H 4.022807 1.470192 -0.869397
H 3.377053 2.271044 0.600220
H -4.021653 1.475712 0.850419
H -3.377780 2.256453 -0.630830
H 3.291840 0.124927 1.676443
H -3.280562 0.090885 -1.672169
H 3.906285 -2.999183 0.619253
H 5.502956 -2.346233 1.042359
H 4.082304 -1.951821 2.067498
H -3.915797 -3.013166 -0.566642
H -5.505244 -2.360554 -1.016627
H -4.072856 -1.990019 -2.034280


