%chk=000057157.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057157

0 1
 O   -1.598100       1.830900       1.497400    
 O   -3.654700      -2.027300      -1.210300    
 O    4.168000      0.6053000     -0.4011000    
 O    4.400300      -1.116700       1.108800    
 N   -1.911400     -0.8990000     -5.4200001E-02
 N   -3.189400       1.995400     -0.1763000    
 C   -2.722100     -0.2043000      0.9168000    
 C  -0.4598000     -0.7710000      6.1200000E-02
 C   -2.436500       1.289400      0.7683000    
 C   -2.396800     -0.6810000       2.324900    
 C   -2.461600      -1.761100      -1.045000    
 C   0.1478000      0.2008000     -0.6760000    
 C   0.1856000      -1.631600      0.8978000    
 C    2.244300     -0.5313000      0.2757000    
 C    1.532900      0.3236000     -0.5662000    
 C    1.570700      -1.508900       1.007800    
 C   -1.463600      -2.364200      -2.006700    
 C   -4.153400       1.415700      -1.108800    
 C   -2.987600       3.432900     -0.3187000    
 C    3.688400     -0.4035000      0.3891000    
 C    5.581800      0.8298000     -0.3770000    
 C    5.915000       1.976300      -1.307500    
 H   -3.777500     -0.4201000      0.7413000    
 H   -3.102800     -0.2344000       3.035500    
 H   -2.495700      -1.768900       2.408700    
 H   -1.399500     -0.3952000       2.673800    
 H  -0.4023000      0.8619000      -1.337500    
 H  -0.3283000      -2.408500       1.453400    
 H    2.014800       1.097900      -1.156500    
 H    2.106200      -2.188400       1.665700    
 H   -3.601500      0.8924000      -1.893900    
 H   -4.815500      0.7158000     -0.5970000    
 H   -4.767900       2.200700      -1.559900    
 H   -3.939100       3.942100     -0.1380000    
 H   -2.245100       3.815500      0.3859000    
 H   -2.646800       3.639600      -1.337600    
 H  -0.7400000      -2.991000      -1.480100    
 H  -0.9568000      -1.583700      -2.579100    
 H   -1.994900      -3.004600      -2.718800    
 H    6.099700     -7.8100003E-02 -0.7054000    
 H    5.893200       1.077100      0.6439000    
 H    6.990300       2.175500      -1.313500    
 H    5.591300       1.750000      -2.328800    
 H    5.388200       2.886300      -1.001700    


%chk=000057157-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057157

0 1
O -1.940639 2.086010 1.648442
O -3.874099 -1.947151 -0.816966
O 4.297095 0.679583 -0.406582
O 4.534505 -1.360479 0.696665
N -1.957233 -0.892608 -0.010263
N -3.219838 1.995120 -0.291872
C -2.769383 -0.133498 1.001642
C -0.514169 -0.776522 0.030491
C -2.613908 1.402192 0.811851
C -2.394485 -0.530606 2.440243
C -2.609089 -1.807019 -0.851559
C 0.124023 0.362806 -0.518213
C 0.263322 -1.797589 0.632770
C 2.306264 -0.551181 0.114632
C 1.527260 0.476822 -0.475035
C 1.665478 -1.688119 0.670582
C -1.746974 -2.600241 -1.826191
C -4.068036 1.323253 -1.290829
C -3.052134 3.447109 -0.490403
C 3.796020 -0.483972 0.180569
C 5.783850 0.834478 -0.378117
C 6.102965 2.152888 -1.074648
H -3.809738 -0.445872 0.800883
H -3.065445 -0.022151 3.153212
H -2.502881 -1.622084 2.568962
H -1.365207 -0.223697 2.684865
H -0.482911 1.150749 -0.974652
H -0.239155 -2.663996 1.075818
H 2.029069 1.352668 -0.894572
H 2.283313 -2.465432 1.131663
H -3.592873 1.360646 -2.291543
H -4.255508 0.268958 -1.043697
H -5.043946 1.842440 -1.359251
H -4.028773 3.963537 -0.418574
H -2.380546 3.831699 0.291650
H -2.621001 3.652329 -1.489391
H -1.218627 -3.421756 -1.310109
H -0.982210 -1.972481 -2.314181
H -2.412507 -3.038541 -2.584583
H 6.232474 -0.036872 -0.888721
H 6.112147 0.820161 0.676897
H 7.196033 2.316448 -1.079553
H 5.749246 2.143327 -2.119846
H 5.628047 3.000746 -0.552088


