%chk=000094990.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094990

0 1
 O   -5.502200       1.129600       1.512400    
 O    5.500100       1.130600      -1.512300    
 N   -4.709200      0.8219000     -0.6865000    
 N    4.707200      0.8220000      0.6864000    
 C  -7.9999998E-04  -2.273700     -5.0000002E-04
 C   -1.238100      -1.460700     -0.1808000    
 C    1.256300      -1.447500      0.1830000    
 C   -1.642500      -1.080300      -1.460300    
 C    1.640600      -1.080600       1.459700    
 C   -1.990700      -1.080300      0.9304000    
 C    1.989000      -1.079900     -0.9310000    
 C   -3.552100      6.0899999E-02 -0.5177000    
 C    3.550200      6.1099999E-02  0.5174000    
 C   -2.799300     -0.3195000      -1.628800    
 C    2.797500     -0.3197000       1.628500    
 C   -3.147700     -0.3196000      0.7621000    
 C    3.145800     -0.3190000     -0.7624000    
 C   -5.585900       1.293800      0.2995000    
 C    5.583900       1.294300     -0.2994000    
 C   -6.724700       2.083100     -0.2960000    
 C    6.722600       2.083500      0.2964000    
 H  -0.1200000      -2.952100      0.8560000    
 H   0.1296000      -2.951800     -0.8556000    
 H   -1.066100      -1.370200      -2.334900    
 H    1.061700      -1.372600       2.330800    
 H   -1.686700      -1.371000       1.932600    
 H    1.681700      -1.372200      -1.930900    
 H   -3.102500     -3.0099999E-02  -2.631800    
 H    3.100600     -3.0700000E-02   2.631600    
 H   -3.677600     -6.3800000E-02   1.669000    
 H    3.675700     -6.3000001E-02  -1.669200    
 H   -4.936600       1.058500      -1.650100    
 H    4.934500       1.058400       1.650200    
 H   -6.332800       2.961200     -0.8168000    
 H   -7.402000       2.412500      0.4968000    
 H   -7.281100       1.458200      -1.000300    
 H    6.330600       2.962500      0.8156000    
 H    7.400900       2.411600     -0.4961000    
 H    7.278000       1.459200       1.002000    


%chk=000094990-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000094990

0 1
O -6.344007 -0.004157 1.205148
O 6.342692 -0.006306 -1.205248
N -4.924676 0.941515 -0.410633
N 4.923827 0.945816 0.407158
C 0.000230 -2.115197 0.005441
C -1.288173 -1.298055 -0.067725
C 1.288264 -1.296939 0.075592
C -1.432493 -0.240163 -1.003088
C 1.431430 -0.233189 1.004243
C -2.390951 -1.594103 0.769232
C 2.392083 -1.598288 -0.758296
C -3.736075 0.168220 -0.255075
C 3.735603 0.171081 0.255778
C -2.635557 0.481867 -1.099293
C 2.634331 0.489801 1.096904
C -3.607344 -0.881472 0.691020
C 3.608125 -0.884905 -0.683582
C -6.132076 0.838253 0.283094
C 6.130546 0.840533 -0.287212
C -7.206561 1.831721 -0.158177
C 7.204635 1.837158 0.147614
H -0.058440 -2.782188 0.888996
H 0.059651 -2.785199 -0.875821
H -0.591550 0.021645 -1.655698
H 0.589955 0.032754 1.654453
H -2.303777 -2.404313 1.504078
H 2.305693 -2.413234 -1.487986
H -2.724189 1.294622 -1.832866
H 2.721873 1.307465 1.825128
H -4.449543 -1.120418 1.342383
H 4.450992 -1.127721 -1.332671
H -4.880079 1.664654 -1.131853
H 4.879183 1.672221 1.125086
H -7.534087 2.416091 0.718662
H -8.084750 1.270487 -0.521954
H -6.879527 2.529576 -0.948930
H 7.529909 2.417517 -0.732755
H 8.084075 1.278589 0.512408
H 6.878658 2.538862 0.935443


