%chk=000153076.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153076

0 1
 O   0.8421000      -1.482800       1.740200    
 O    3.112900       1.059200      -2.375400    
 N   -3.135400       1.757200      0.2709000    
 N   -1.123000      -2.362800      0.2647000    
 C   -2.539000      -2.548600      0.2829000    
 C   -3.253300      -1.190400      0.3086000    
 C   -2.848600     -0.3355000       1.516000    
 C   -3.528800       1.032400       1.473700    
 C   -2.905000      -3.380000       1.508100    
 C  -0.4560000      -1.664200     -0.7680000    
 C   -3.829100       3.044000      0.1945000    
 C   -1.685800       1.959400      0.2422000    
 C   0.7321000     -0.9512000     -0.5669000    
 C    1.333300     -0.2838000      -1.636100    
 C   -1.037400      -1.706800      -2.035500    
 C    1.340200     -0.9112000      0.7786000    
 C    2.593300     -0.1546000      0.9771000    
 C    3.194500      0.5128000     -9.2100002E-02
 C    2.586500      0.4727000      -1.437800    
 C   -5.336700       2.857400      0.2228000    
 C   -1.253800       2.655500      -1.037300    
 C   0.7467000     -0.3295000      -2.906500    
 C  -0.4374000      -1.040900      -3.102400    
 C    3.179600     -0.1085000       2.247600    
 C    4.382100       1.226500      0.1093000    
 C    4.363000      0.6038000       2.443900    
 C    4.962900       1.270000       1.377000    
 H   -2.880000      -3.121200     -0.5871000    
 H   -3.067000     -0.6517000     -0.6253000    
 H   -4.337700      -1.360800      0.3397000    
 H   -1.767200     -0.2585000       1.648900    
 H   -3.205500     -0.8278000       2.429700    
 H   -4.606100      0.8386000       1.500500    
 H   -3.275700       1.593700       2.382500    
 H  -0.6226000      -2.455800       1.141100    
 H   -2.510400      -2.959200       2.439000    
 H   -3.990900      -3.480300       1.607000    
 H   -2.485700      -4.389200       1.418800    
 H   -3.611700       3.542900     -0.7555000    
 H   -3.527100       3.721600       1.002900    
 H   -1.149800       1.011900      0.2408000    
 H   -1.335800       2.531800       1.110600    
 H   -1.944100      -2.262200      -2.251500    
 H   -5.825600       3.789600     -8.2699999E-02
 H   -5.712100       2.626500       1.224500    
 H   -5.664400       2.076700     -0.4724000    
 H  -0.1637000       2.599500      -1.134900    
 H   -1.509100       3.719400      -1.043800    
 H   -1.685400       2.178800      -1.924000    
 H    1.194900      0.1810000      -3.754600    
 H  -0.8891000      -1.079000      -4.089600    
 H    2.733500     -0.6184000       3.097200    
 H    4.869400       1.754300     -0.7061000    
 H    4.817400      0.6392000       3.429800    
 H    5.884200       1.823900       1.532500    


%chk=000153076-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000153076

0 1
O 1.116083 -1.393119 1.835298
O 3.617165 0.666821 -2.644502
N -3.579002 1.978917 0.493995
N -1.060612 -1.821966 0.455074
C -2.466745 -2.276320 0.500799
C -3.462366 -1.079350 0.560109
C -3.306471 -0.172965 1.799969
C -4.065586 1.166765 1.641263
C -2.624576 -3.241966 1.694532
C -0.416302 -1.291325 -0.633898
C -4.614219 2.912233 -0.027676
C -2.287808 2.663836 0.784493
C 0.962002 -0.836057 -0.516688
C 1.620013 -0.298984 -1.676330
C -1.065863 -1.177146 -1.911895
C 1.670867 -0.918688 0.762686
C 3.082798 -0.439646 0.836226
C 3.744115 0.093732 -0.306758
C 3.036388 0.188067 -1.616159
C -5.687773 2.210346 -0.881634
C -1.470410 2.971413 -0.485101
C 0.953304 -0.210881 -2.912001
C -0.388978 -0.654139 -3.018977
C 3.776170 -0.520599 2.069690
C 5.085657 0.538932 -0.203403
C 5.109932 -0.076719 2.165251
C 5.767686 0.455074 1.025872
H -2.679535 -2.847477 -0.427238
H -3.330894 -0.437586 -0.331693
H -4.493336 -1.487506 0.516207
H -2.230840 0.028388 1.972516
H -3.683256 -0.678040 2.711608
H -5.136625 0.945244 1.473529
H -4.006344 1.739417 2.601690
H -0.476902 -1.846318 1.316710
H -2.363411 -2.747096 2.647546
H -3.670051 -3.589369 1.767527
H -1.971712 -4.124800 1.576871
H -4.103782 3.662601 -0.658191
H -5.104658 3.481203 0.803653
H -1.688072 1.997953 1.431147
H -2.453331 3.604466 1.369579
H -2.102968 -1.503661 -2.020908
H -6.414644 2.947743 -1.271059
H -6.253805 1.458933 -0.301353
H -5.214672 1.694592 -1.735755
H -0.514179 3.459806 -0.219487
H -2.010612 3.647763 -1.172439
H -1.248843 2.037421 -1.030599
H 1.493726 0.204095 -3.767243
H -0.909615 -0.583770 -3.980301
H 3.245447 -0.935298 2.931881
H 5.564448 0.943572 -1.100710
H 5.640987 -0.142378 3.121101
H 6.804607 0.799238 1.103277


