%chk=000048443.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048443

0 1
 O   0.4152000      -1.590700      -1.407100    
 O    3.255300       1.365300      0.7476000    
 O   -1.048500       2.636300     -0.1509000    
 N  -0.4425000      0.4376000     -0.6522000    
 N    1.074400       1.952200      0.3458000    
 C    1.675500     -0.4117000      0.2809000    
 C    1.204900     -0.9245000       1.654100    
 C    2.877800      -1.249600     -0.1819000    
 C   0.5133000     -0.5903000     -0.6943000    
 C   -1.714700      0.2059000      -1.325800    
 C   -2.754600     -0.5033000     -0.4448000    
 C    2.106100       1.035000      0.4586000    
 C  -0.2123000       1.729100     -0.1396000    
 C   -3.056900      0.2333000      0.8744000    
 C   0.7866000      -2.375400       1.575100    
 C    3.441100     -0.7197000      -1.482100    
 C   -4.057100     -0.7414000      -1.216900    
 C   -4.063500     -0.4881000       1.759200    
 H   0.3584000     -0.3325000       2.024500    
 H    2.002700     -0.8146000       2.399900    
 H    2.610600      -2.297400     -0.3560000    
 H    3.671500      -1.247700      0.5759000    
 H   -2.126300       1.159300      -1.678400    
 H   -1.533000     -0.3980000      -2.223400    
 H   -2.345500      -1.489200     -0.1839000    
 H   -2.131600      0.3429000       1.451000    
 H   -3.424700       1.244900      0.6654000    
 H    1.296900       2.912200      0.5943000    
 H  -4.1600000E-02  -2.553100      0.8847000    
 H    1.611100      -3.049500       1.331000    
 H   0.4272000      -2.689500       2.562600    
 H    2.698400     -0.6937000      -2.284800    
 H    3.872400      0.2802000      -1.388300    
 H    4.251200      -1.376100      -1.820200    
 H   -3.847900      -1.196600      -2.191300    
 H   -4.725300      -1.426500     -0.6866000    
 H   -4.591100      0.1982000      -1.394300    
 H   -4.116300      1.3000000E-03   2.737500    
 H   -5.070300     -0.4644000       1.332300    
 H   -3.773200      -1.531100       1.919900    


%chk=000048443-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048443

0 1
O 0.161267 -1.661699 -1.178848
O 3.226271 1.305633 1.063014
O -0.929112 2.796077 -0.329342
N -0.461515 0.511003 -0.651849
N 1.129191 1.975597 0.362980
C 1.676378 -0.457651 0.319506
C 1.279528 -1.029720 1.752257
C 2.868750 -1.250834 -0.287678
C 0.436095 -0.587052 -0.579739
C -1.767445 0.299764 -1.344210
C -2.801421 -0.475152 -0.484350
C 2.102215 0.990754 0.592843
C -0.149482 1.815932 -0.208965
C -3.157024 0.291746 0.816287
C 0.919366 -2.527475 1.791714
C 3.368490 -0.693720 -1.637058
C -4.043201 -0.753036 -1.364541
C -4.063747 -0.500829 1.782718
H 0.431931 -0.432893 2.146048
H 2.146543 -0.831985 2.410878
H 2.545852 -2.296866 -0.421670
H 3.689763 -1.231219 0.451896
H -2.154960 1.299476 -1.602804
H -1.555957 -0.265679 -2.268129
H -2.349916 -1.450250 -0.208125
H -2.220023 0.555331 1.347560
H -3.638965 1.253954 0.549173
H 1.367638 2.938480 0.623342
H 0.109317 -2.778560 1.085930
H 1.787519 -3.163382 1.548811
H 0.585394 -2.794716 2.811020
H 2.574377 -0.727167 -2.405092
H 3.727923 0.346547 -1.539264
H 4.212634 -1.301441 -2.008789
H -3.765432 -1.297029 -2.286496
H -4.784841 -1.368860 -0.827277
H -4.538650 0.191915 -1.660162
H -4.217236 0.056453 2.724932
H -5.060524 -0.693256 1.346621
H -3.613291 -1.479092 2.038758


