%chk=000041607.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041607

0 1
 O    2.818400     -0.2497000      0.1407000    
 O   -4.124000      0.3140000       1.035200    
 O    2.115700       1.707100     -0.8118000    
 N    6.454300     -0.8179000     -0.2003000    
 N   0.6227000      0.2435000      0.2509000    
 C    7.221100      -2.071200     -0.2352000    
 C    7.077900      0.1616000      0.7006000    
 C    8.657200      -1.826900     -0.7017000    
 C    8.509300      0.4787000      0.2649000    
 C    9.353400     -0.7870000      0.1688000    
 C    5.071800      -1.075000      0.2018000    
 C    4.160600      5.1600002E-02 -0.2584000    
 C   -7.618300     -0.3926000     -0.1509000    
 C   -8.601400      -1.551700      3.5599999E-02
 C   -6.281600     -0.6098000      0.5563000    
 C   -9.930100      -1.345100     -0.6926000    
 C   -5.350900      0.5812000      0.3700000    
 C    1.867500      0.6745000     -0.2015000    
 C   -10.89630      -2.487400     -0.4173000    
 C   -2.999000      0.9018000      0.5175000    
 C  -0.6161000      0.8719000      0.1209000    
 C   -1.760600      0.2734000      0.6477000    
 C   -3.092900       2.128700     -0.1393000    
 C  -0.7101000       2.098800     -0.5359000    
 C   -1.948500       2.727300     -0.6661000    
 H    6.755200      -2.775100     -0.9355000    
 H    7.229800      -2.550400      0.7527000    
 H    7.086000     -0.2084000       1.734500    
 H    6.524200       1.106100      0.7000000    
 H    9.219800      -2.766900     -0.6759000    
 H    8.651700      -1.485700      -1.744800    
 H    8.493700      0.9827000     -0.7099000    
 H    8.967700       1.174400      0.9768000    
 H    10.34050     -0.5509000     -0.2435000    
 H    9.512800      -1.198000       1.173200    
 H    4.975400      -1.241500       1.282900    
 H    4.699700      -1.996200     -0.2674000    
 H    4.196400      0.1466000      -1.350700    
 H    4.442700       1.007800      0.1937000    
 H   -7.440000     -0.2446000      -1.223300    
 H   -8.080300      0.5297000      0.2230000    
 H   -8.135700      -2.479300     -0.3201000    
 H   -8.792300      -1.685200       1.107800    
 H   -6.443100     -0.7814000       1.627700    
 H   -5.796300      -1.517400      0.1764000    
 H   -10.38730     -0.4025000     -0.3702000    
 H   -9.753800      -1.268800      -1.771600    
 H   -5.203600      0.7255000     -0.7083000    
 H   -5.803100       1.482700      0.7995000    
 H   -10.47990      -3.442700     -0.7527000    
 H   -11.11830      -2.565100      0.6518000    
 H   -11.83890      -2.322300     -0.9486000    
 H   0.6185000     -0.6481000      0.7407000    
 H   -1.696200     -0.6832000       1.161000    
 H   -4.032400       2.664400     -0.2379000    
 H   0.1314000       2.623100     -0.9674000    
 H   -2.021400       3.685900      -1.171800    


%chk=000041607-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041607

0 1
O 2.942214 -0.307640 -0.347856
O -4.030160 -0.264991 -0.180735
O 2.302185 1.932873 -0.704614
N 6.643711 -0.764810 -0.045340
N 0.738446 0.172882 -0.382235
C 7.508399 -1.945591 -0.301012
C 7.095432 -0.009263 1.152227
C 8.974667 -1.517672 -0.514462
C 8.548778 0.478556 0.986180
C 9.493111 -0.711047 0.698167
C 5.200584 -1.097503 -0.003053
C 4.366765 0.099293 -0.478705
C -7.840631 -0.402690 -0.031451
C -8.842888 -1.560753 0.173892
C -6.367542 -0.871765 -0.015726
C -10.316931 -1.095720 0.171347
C -5.395986 0.290259 -0.230237
C 2.000641 0.731184 -0.500837
C -11.314968 -2.256469 0.371368
C -2.958598 0.625332 -0.356894
C -0.518761 0.833924 -0.457880
C -1.675760 0.036175 -0.293576
C -3.098330 2.017748 -0.584519
C -0.639470 2.232184 -0.688171
C -1.929050 2.795160 -0.746510
H 7.130683 -2.464147 -1.201845
H 7.462683 -2.676255 0.550568
H 7.024990 -0.648356 2.073205
H 6.424238 0.855607 1.304314
H 9.598740 -2.416525 -0.682776
H 9.031526 -0.892093 -1.426213
H 8.589610 1.197080 0.145077
H 8.862815 1.014639 1.902446
H 10.523770 -0.353393 0.514340
H 9.533282 -1.371823 1.589193
H 4.857813 -1.404908 1.014812
H 5.010088 -1.950602 -0.679532
H 4.582091 0.338774 -1.534404
H 4.537390 1.005996 0.127634
H -8.060897 0.101941 -0.995670
H -7.996752 0.358358 0.761854
H -8.696907 -2.319382 -0.623118
H -8.622419 -2.072350 1.133933
H -6.135737 -1.359197 0.950698
H -6.201998 -1.629062 -0.805937
H -10.461554 -0.340299 0.970677
H -10.534624 -0.579991 -0.786342
H -5.565159 0.772641 -1.215991
H -5.513058 1.057583 0.563917
H -11.215124 -3.008800 -0.433800
H -11.136535 -2.771538 1.334246
H -12.360341 -1.896886 0.369542
H 0.729877 -0.835877 -0.217375
H -1.606976 -1.043009 -0.115609
H -4.081535 2.492264 -0.636506
H 0.255447 2.842919 -0.815137
H -2.028283 3.872031 -0.923572


