%chk=000059976.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059976

0 1
 O   -1.429300     -0.3299000     -0.3576000    
 O   -1.231500      -2.528100     -0.9566000    
 O    3.044500     -0.7183000       1.140200    
 N   -5.502400      0.7864000     -0.6651000    
 N   0.5299000      -1.350700      3.9200000E-02
 C   -2.766900     -0.3243000     -0.8400000    
 C   -3.725800     -0.7254000      0.2782000    
 C   -3.101200       1.070400      -1.360800    
 C   -5.183400     -0.5531000     -0.1524000    
 C   -4.579600       1.182300      -1.737400    
 C   -5.571400       1.783700      0.4005000    
 C   -6.867300       1.625000       1.191700    
 C   -6.973800       2.666500       2.294900    
 C  -0.7433000      -1.515000     -0.4708000    
 C    4.894800       2.334500     -4.5800000E-02
 C    3.797000       1.497000      0.6081000    
 C    4.641700       3.842500      3.7900001E-02
 C    1.565200      -2.309500      0.1211000    
 C    4.108300      8.2000000E-03  0.5290000    
 C    5.728000       4.679700     -0.6382000    
 C    2.803100      -1.974800      0.6701000    
 C    5.468500       6.168700     -0.4649000    
 C    1.339400      -3.601400     -0.3540000    
 C    3.815000      -2.932100      0.7441000    
 C    2.351500      -4.558600     -0.2801000    
 C    3.589200      -4.223900      0.2688000    
 H   -2.878700      -1.019500      -1.683100    
 H   -3.548400      -1.771000      0.5580000    
 H   -3.512400     -0.1445000       1.183700    
 H   -2.841200       1.823600     -0.6060000    
 H   -2.474300       1.298400      -2.231500    
 H   -5.845000     -0.8497000      0.6672000    
 H   -5.394900      -1.275300     -0.9527000    
 H   -4.771100      0.5396000      -2.606800    
 H   -4.800600       2.200900      -2.079300    
 H   -4.702200       1.751400       1.067200    
 H   -5.584700       2.790500     -3.7599999E-02
 H   -7.730800       1.724700      0.5225000    
 H   -6.936500      0.6393000       1.662000    
 H   -6.958300       3.679900       1.881400    
 H   -7.910700       2.540200       2.846700    
 H   -6.146100       2.571800       3.005100    
 H    5.856300       2.107900      0.4317000    
 H    4.989500       2.045800      -1.100000    
 H   0.7566000     -0.4277000      0.4016000    
 H    3.672800       1.787600       1.658500    
 H    2.832000       1.695100      0.1252000    
 H    3.672100       4.070600     -0.4220000    
 H    4.566000       4.130900       1.093800    
 H    5.039400     -0.2125000       1.063300    
 H    4.226800     -0.2871000     -0.5216000    
 H    6.706500       4.433600     -0.2100000    
 H    5.770700       4.439100      -1.706700    
 H    6.254500       6.749800     -0.9572000    
 H    5.455300       6.444300      0.5945000    
 H    4.508100       6.453200     -0.9065000    
 H   0.4107000      -3.938400     -0.7919000    
 H    4.781700      -2.689600       1.177100    
 H    2.176900      -5.565200     -0.6493000    
 H    4.376400      -4.969800      0.3282000    


%chk=000059976-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059976

0 1
O -1.601668 -0.586674 -0.703824
O -1.482775 -2.945177 -0.614726
O 2.800225 -0.503105 -0.061064
N -5.760292 0.536249 -0.426044
N 0.414438 -1.544053 -0.376067
C -3.086574 -0.668568 -0.883616
C -3.786499 -0.794860 0.480573
C -3.508913 0.607566 -1.621249
C -5.332035 -0.696014 0.283524
C -5.065306 0.646726 -1.731203
C -5.740822 1.771943 0.397801
C -6.922702 1.846322 1.389473
C -6.914341 3.158723 2.203144
C -0.927339 -1.816272 -0.563844
C 5.152859 2.498567 0.095619
C 3.844750 1.678426 0.011579
C 4.903256 4.022936 0.045774
C 1.468277 -2.473844 -0.206370
C 4.103252 0.171855 0.076606
C 6.204032 4.855700 0.102252
C 2.772638 -1.912847 -0.035840
C 5.946359 6.377308 0.055249
C 1.312858 -3.879097 -0.198510
C 3.896429 -2.743901 0.136886
C 2.444673 -4.709367 -0.023228
C 3.728965 -4.150243 0.143238
H -3.298369 -1.569444 -1.493261
H -3.525338 -1.758802 0.953540
H -3.434183 0.018912 1.143345
H -3.145876 1.490669 -1.061564
H -3.050308 0.636263 -2.627363
H -5.840076 -0.750390 1.261743
H -5.677859 -1.568235 -0.307247
H -5.400896 -0.197080 -2.368751
H -5.385746 1.579280 -2.229551
H -4.786024 1.905733 0.966555
H -5.812111 2.633022 -0.295693
H -7.863411 1.749670 0.815722
H -6.887249 0.984364 2.084532
H -6.989959 4.040709 1.539058
H -7.763271 3.196116 2.909497
H -5.981968 3.260382 2.790707
H 5.692584 2.248459 1.032979
H 5.825869 2.212174 -0.739446
H 0.689055 -0.557213 -0.363840
H 3.166411 1.962942 0.838967
H 3.316524 1.909864 -0.933623
H 4.348758 4.273651 -0.882549
H 4.244535 4.315023 0.889933
H 4.564309 -0.113341 1.045081
H 4.772885 -0.155217 -0.746010
H 6.760069 4.602553 1.028222
H 6.860056 4.564586 -0.743547
H 6.891457 6.948936 0.099345
H 5.316621 6.699630 0.905894
H 5.422206 6.662584 -0.876394
H 0.313653 -4.299336 -0.330971
H 4.893754 -2.313426 0.265293
H 2.314369 -5.796631 -0.018766
H 4.602383 -4.797006 0.277629


