%chk=000129685.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129685

0 1
 O   -4.821800       1.347300      0.8664000    
 O   -5.243700      0.3509000      -1.160500    
 N   -1.172300     -0.6193000     -4.5899998E-02
 N   -2.255100      0.1430000     -0.2895000    
 C    2.603800     -0.3147000     -0.3431000    
 C    2.795000       1.052700      0.3270000    
 C    3.746400      -1.269500      2.7899999E-02
 C    4.162100       1.651900      4.9000001E-03
 C    5.112000     -0.6664000     -0.2935000    
 C    5.294900      0.6965000      0.3671000    
 C    1.252500     -0.9173000      3.6800001E-02
 C   0.1044000     -3.3300001E-02 -0.4363000    
 C   -3.377500     -0.3243000      0.1596000    
 C   -3.607200      -1.598300      0.9254000    
 C   -4.593600      0.5007000     -0.1464000    
 H    2.627000     -0.1704000      -1.432200    
 H    2.686800      0.9583000       1.414900    
 H    2.045300       1.773700     -1.1700000E-02
 H    3.634300      -2.216400     -0.5136000    
 H    3.700900      -1.508200       1.098300    
 H    4.288700       2.595200      0.5484000    
 H    4.213700       1.890100      -1.064700    
 H    5.218100     -0.5626000      -1.380400    
 H    5.903100      -1.347000      4.0899999E-02
 H    6.254300       1.129000      6.1500002E-02
 H    5.332600      0.5718000       1.456300    
 H    1.195300      -1.057400       1.124300    
 H    1.157400      -1.912800     -0.4161000    
 H   0.1414000      9.1499999E-02  -1.524800    
 H   0.1596000      0.9588000      1.9700000E-02
 H   -1.283200      -1.547400     -0.4531000    
 H   -4.631500      -1.636500       1.306600    
 H   -2.919900      -1.656300       1.773800    
 H   -3.446300      -2.454000      0.2641000    
 H   -5.618900       1.899100      0.7173000    


%chk=000129685-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000129685

0 1
O -3.777323 1.622351 1.510422
O -5.412524 -0.025817 1.497966
N -1.291411 -0.635482 -0.736468
N -2.149958 0.079104 0.023061
C 2.567545 -0.299688 -0.295099
C 2.817009 1.225410 -0.144417
C 3.551972 -1.092773 0.605770
C 4.293217 1.600716 -0.419405
C 5.027371 -0.723257 0.328688
C 5.261292 0.798285 0.481631
C 1.106202 -0.704562 0.021819
C 0.062614 -0.106933 -0.953163
C -3.336987 -0.448966 0.327061
C -3.804193 -1.821808 -0.110811
C -4.262286 0.358932 1.140005
H 2.782785 -0.576177 -1.353237
H 2.546317 1.529678 0.889179
H 2.157750 1.796924 -0.826620
H 3.397733 -2.181049 0.460158
H 3.314323 -0.876729 1.669246
H 4.439901 2.687842 -0.268060
H 4.530513 1.391552 -1.483617
H 5.294317 -1.030773 -0.704065
H 5.694172 -1.284891 1.011583
H 6.311239 1.052459 0.238325
H 5.097415 1.087271 1.540785
H 0.843832 -0.397321 1.053888
H 1.029730 -1.812203 -0.010775
H 0.361842 -0.319248 -1.999046
H -0.011016 0.985691 -0.832687
H -1.499907 -1.604440 -1.017125
H -4.813954 -2.006544 0.285141
H -3.135877 -2.624198 0.265464
H -3.845841 -1.906230 -1.216161
H -4.489216 2.061274 2.049965


