%chk=000099420.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099420

0 1
 O   -1.564800     -0.6599000       1.057100    
 O   -2.061500      0.1273000      -1.074600    
 O    4.863800     -0.4190000     -0.5984000    
 N   -3.626700      0.1523000      0.6363000    
 N    2.992300      0.6694000      0.3248000    
 C   -4.727200      0.7367000     -0.1084000    
 C   -5.944500      0.8768000      0.8128000    
 C   -4.305900       2.116500     -0.6247000    
 C   -5.079700     -0.1741000      -1.290100    
 C   -2.391900     -0.1011000      8.5299999E-02
 C  -0.2790000     -0.9558000      0.5939000    
 C    1.980400     -0.2869000      0.2337000    
 C   0.6979000      8.8000000E-03  0.6957000    
 C  -4.1900001E-02  -2.200100      5.4699998E-02
 C    2.251700      -1.539200     -0.3177000    
 C    1.240700      -2.495700     -0.4071000    
 C    5.100500       1.840200      0.2007000    
 C    4.332100      0.5577000     -8.0899999E-02
 C    6.563600       1.746400     -0.1933000    
 H   -5.716500       1.515700       1.674100    
 H   -6.797800       1.316400      0.2847000    
 H   -6.257400     -9.7800002E-02   1.205300    
 H   -3.504100       2.070100      -1.367600    
 H   -3.956300       2.754700      0.1954000    
 H   -5.150300       2.626300      -1.103400    
 H   -5.292500      -1.194800     -0.9512000    
 H   -5.970600      0.1941000      -1.812500    
 H   -4.280700     -0.2373000      -2.034900    
 H   -3.766200     -8.6000003E-02   1.613900    
 H   0.4725000      0.9794000       1.128400    
 H  -0.8289000      -2.944400     -1.4100000E-02
 H    3.217700      -1.842400     -0.6962000    
 H    2.713800       1.556600      0.7390000    
 H    1.450600      -3.471300     -0.8361000    
 H    4.622800       2.657400     -0.3516000    
 H    5.023300       2.063200       1.271000    
 H    7.067400      0.9429000      0.3542000    
 H    7.078800       2.686200      2.7600000E-02
 H    6.670200       1.541300      -1.263600    


%chk=000099420-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099420

0 1
O -1.670928 -1.072146 0.454665
O -1.779500 1.147070 -0.432615
O 5.059622 -0.604894 -0.033359
N -3.679967 -0.095093 0.198267
N 2.964571 0.420353 -0.315564
C -4.752612 0.895061 -0.134299
C -6.092434 0.213928 0.233374
C -4.557388 2.183894 0.706135
C -4.714060 1.223110 -1.649589
C -2.338736 0.116692 0.021375
C -0.259621 -1.251729 0.450537
C 2.064980 -0.603073 0.104059
C 0.680628 -0.282496 0.047569
C 0.148623 -2.526972 0.905160
C 2.498701 -1.875685 0.557158
C 1.525766 -2.820428 0.951389
C 4.991470 1.674843 -0.942504
C 4.359380 0.391992 -0.380772
C 6.278808 2.056596 -0.180458
H -6.131830 -0.035238 1.310467
H -6.931346 0.895580 0.013314
H -6.244982 -0.711706 -0.352883
H -3.583379 2.648395 0.479973
H -4.598362 1.955438 1.786391
H -5.356055 2.910377 0.471383
H -4.866687 0.309000 -2.251261
H -5.513793 1.943585 -1.899020
H -3.743122 1.668170 -1.923323
H -3.949913 -1.002172 0.583004
H 0.337428 0.693216 -0.304209
H -0.608338 -3.254627 1.210197
H 3.565312 -2.100065 0.593382
H 2.520145 1.291757 -0.614557
H 1.851800 -3.805353 1.302591
H 5.242237 1.477193 -2.004065
H 4.269845 2.514985 -0.935573
H 6.053853 2.361124 0.857117
H 6.798163 2.891571 -0.682939
H 6.957420 1.188345 -0.138316


