%chk=000153677.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153677

0 1
 O   -6.046300     -5.5999998E-03   1.191300    
 N   -1.010000     -3.1000001E-03  -1.167000    
 N    2.860100      4.6000001E-03  0.4425000    
 N    2.943400       4.807600      0.4802000    
 N    2.962300      -4.798000      0.4809000    
 C   0.3022000     -5.0000002E-04 -0.6209000    
 C   0.9399000       1.215500     -0.3549000    
 C   0.9446000      -1.213900     -0.3546000    
 C    2.236700       1.170500      0.1841000    
 C    2.241200      -1.163800      0.1845000    
 C   0.3180000       2.449500     -0.6125000    
 C   0.3274000      -2.450500     -0.6119000    
 C    2.877000       2.377800      0.4511000    
 C    2.886100      -2.368500      0.4518000    
 C   -2.278700     -4.4000000E-03 -0.5727000    
 C    2.261800       3.606000      0.1964000    
 C    2.275800      -3.599100      0.1972000    
 C   0.9796000       3.642300     -0.3365000    
 C   0.9937000      -3.640700     -0.3357000    
 C   -3.431100     -6.0000001E-03  -1.366700    
 C   -2.406400     -3.5000001E-03  0.8210000    
 C   -4.694300     -6.6000000E-03 -0.7751000    
 C   -3.669500     -4.0000002E-03   1.412700    
 C   -4.813500     -5.4000001E-03  0.6146000    
 H   -1.011900     -6.3999998E-03  -2.182800    
 H  -0.6820000       2.514100      -1.033500    
 H  -0.6724000      -2.519000      -1.032800    
 H    3.882900       2.361800      0.8692000    
 H    3.892100      -2.348500      0.8699000    
 H   0.4864000       4.588500     -0.5420000    
 H   0.5044000      -4.588900     -0.5410000    
 H   -3.354100     -6.6000000E-03  -2.451300    
 H   -1.532800     -2.2000000E-03   1.467800    
 H   -5.577700     -7.7000000E-03  -1.408000    
 H   -3.756200     -3.1000001E-03   2.495800    
 H    3.876600       4.780800      0.8689000    
 H    2.498700       5.697200      0.2969000    
 H    3.895400      -4.767500      0.8699000    
 H    2.521000      -5.689500      0.2980000    
 H   -6.721600     -6.6999998E-03  0.4914000    


%chk=000153677-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153677

0 1
O -6.053961 1.390015 0.992206
N -1.118096 -0.545606 -1.028233
N 2.915497 -0.101758 0.431986
N 2.456218 4.709732 0.739587
N 3.627434 -4.883144 0.074986
C 0.187994 -0.370390 -0.509496
C 0.729850 0.921569 -0.220523
C 1.020090 -1.524373 -0.340026
C 2.101232 0.995869 0.286709
C 2.399352 -1.331041 0.104236
C 0.031291 2.155765 -0.456267
C 0.565254 -2.869450 -0.560793
C 2.654684 2.273891 0.616587
C 3.257497 -2.469194 0.229702
C -2.341738 -0.029376 -0.521495
C 1.929143 3.458562 0.420787
C 2.797171 -3.767732 -0.038154
C 0.601536 3.382858 -0.148618
C 1.416547 -3.958767 -0.422904
C -3.504662 -0.100663 -1.333742
C -2.457085 0.515021 0.788643
C -4.751748 0.352982 -0.853531
C -3.695765 0.984074 1.262005
C -4.847159 0.904467 0.445517
H -1.216345 -1.293089 -1.717396
H -0.970697 2.130281 -0.892861
H -0.486636 -3.056199 -0.808258
H 3.677669 2.284839 1.007358
H 4.286644 -2.280976 0.553367
H 0.048327 4.309973 -0.343713
H 1.041343 -4.976654 -0.586478
H -3.433091 -0.505971 -2.350333
H -1.577782 0.563906 1.437295
H -5.638442 0.284359 -1.497364
H -3.788787 1.403641 2.268102
H 3.389347 4.794634 1.131934
H 1.919714 5.557310 0.581555
H 4.597602 -4.779865 0.357612
H 3.275624 -5.817304 -0.111126
H -6.796267 1.284303 0.347335


