%chk=000048806.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048806

0 1
 O  -0.3139000      -1.287000      -1.673300    
 O   0.1793000       1.236200       2.178700    
 O   -3.556000       1.790500     -0.4070000    
 N   -2.061900      0.1013000      -1.012400    
 N   -1.715000       1.445300      0.9017000    
 C  -0.3381000     -0.5500000      0.6253000    
 C    1.161300     -0.8869000      0.6386000    
 C   -1.098000      -1.609300       1.444100    
 C    1.951700      0.1952000     -6.7400001E-02
 C  -0.8704000     -0.6124000     -0.8051000    
 C  -0.5603000      0.7930000       1.301100    
 C    3.443900     -0.1334000     -2.3499999E-02
 C  -0.9031000      -2.988900      0.8568000    
 C    4.269700      0.9207000     -0.7613000    
 C   -2.530600       1.140700     -0.1859000    
 C   -2.787700     -0.1412000      -2.253600    
 C    5.729200      0.5862000     -0.7569000    
 H    1.374600      -1.836700      0.1359000    
 H    1.520300     -0.9888000       1.671400    
 H   -2.172300      -1.386100       1.471800    
 H  -0.7590000      -1.605300       2.488100    
 H    1.644700      0.2869000      -1.115200    
 H    1.811500       1.180500      0.3865000    
 H    3.778800     -0.1968000       1.019300    
 H    3.618300      -1.115900     -0.4795000    
 H   -1.264600      -3.080700     -0.1704000    
 H   0.1312000      -3.337500      0.9081000    
 H   -1.487900      -3.705400       1.446400    
 H   -1.967400       2.276400       1.429500    
 H    3.921000       1.003800      -1.797600    
 H    4.118600       1.900800     -0.2937000    
 H   -3.863300     -1.7100001E-02  -2.097500    
 H   -2.592100      -1.148400      -2.632200    
 H   -2.451700      0.5920000      -2.993400    
 H    6.119800      0.5256000      0.2642000    
 H    6.300400       1.354000      -1.288500    
 H    5.918900     -0.3729000      -1.249900    


%chk=000048806-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048806

0 1
O -0.548739 -1.506333 -1.612408
O -0.095701 1.018692 2.475213
O -3.403230 2.041339 -0.603664
N -2.045771 0.185690 -1.079622
N -1.737831 1.463691 0.912880
C -0.392625 -0.624214 0.666581
C 1.141702 -0.879321 0.638118
C -1.139853 -1.745892 1.516829
C 1.955579 0.214402 -0.089219
C -0.961766 -0.674641 -0.761016
C -0.689360 0.679307 1.419126
C 3.469147 -0.097648 -0.095247
C -0.910041 -3.197227 1.053839
C 4.307252 0.974099 -0.828779
C -2.463611 1.271297 -0.278381
C -2.724387 0.022235 -2.388810
C 5.818014 0.656887 -0.831399
H 1.315843 -1.847771 0.138023
H 1.487495 -0.962212 1.685510
H -2.226020 -1.523221 1.515653
H -0.786498 -1.621936 2.558090
H 1.604718 0.305797 -1.137501
H 1.792851 1.195818 0.399933
H 3.829169 -0.189976 0.950626
H 3.638829 -1.084580 -0.574227
H -1.187044 -3.346180 -0.003311
H 0.142820 -3.503832 1.174001
H -1.526638 -3.876833 1.670710
H -2.008962 2.289569 1.457007
H 3.945657 1.066551 -1.873271
H 4.135773 1.960331 -0.351133
H -3.789841 0.266769 -2.269385
H -2.586747 -1.017139 -2.718276
H -2.285715 0.698769 -3.142210
H 6.210887 0.589584 0.200723
H 6.395037 1.436603 -1.361786
H 6.019508 -0.310072 -1.330015


