%chk=000059336.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059336

0 1
 O    3.934700      -1.450300      0.1917000    
 O    2.682500      -1.749800      -1.726300    
 O   -2.294900      -1.518900       1.634100    
 N  -0.6134000      -1.164800      8.5699998E-02
 N   -2.872500     -0.8036000     -0.4950000    
 C    2.103100     -1.0600000E-02 -0.1415000    
 C   0.9563000      0.3160000      -1.134800    
 C    1.470300     -0.4621000       1.202000    
 C  -0.1116000     -0.7798000      -1.237800    
 C   0.4269000      -1.565400       1.031200    
 C    3.048200       1.196700     -1.2600000E-02
 C    2.920100      -1.170600     -0.6750000    
 C   -1.964800      -1.177600      0.4953000    
 C    3.248000       1.789200       1.231200    
 C    3.698000       1.689900      -1.140600    
 C    4.104700       2.884000       1.347700    
 C    4.554700       2.784500      -1.023900    
 C    4.758000       3.381500      0.2200000    
 C    4.789900      -2.532000     -0.1911000    
 C   -4.167000     -0.2575000     -0.3100000    
 C    5.857100      -2.715100      0.8667000    
 C   -4.987300     -3.4100000E-02  -1.412400    
 C   -4.610800      5.2299999E-02  0.9726000    
 C   -6.261600      0.5035000      -1.230700    
 C   -5.885100      0.5897000       1.154100    
 C   -6.710400      0.8153000      5.2499998E-02
 C   -8.073100       1.389600      0.2470000    
 H    1.340400      0.5101000      -2.144100    
 H   0.4633000       1.243700     -0.8107000    
 H   0.9526000      0.3881000       1.667500    
 H    2.227600     -0.8084000       1.916300    
 H  -0.9018000     -0.3996000      -1.886100    
 H   0.2700000      -1.687800      -1.713700    
 H  -3.7000000E-03  -1.808000       2.007800    
 H   0.8841000      -2.485100      0.6484000    
 H    2.774800       1.440500       2.141500    
 H    3.560800       1.236800      -2.118200    
 H    4.265400       3.348200       2.316400    
 H    5.065000       3.170900      -1.901400    
 H   -2.620100     -0.9656000      -1.463600    
 H    5.425800       4.233100      0.3110000    
 H    5.258700      -2.303000      -1.154600    
 H    4.198200      -3.449600     -0.2832000    
 H    5.402200      -2.926500       1.840100    
 H    6.444900      -1.798600      0.9832000    
 H    6.530400      -3.536200      0.6054000    
 H   -4.649200     -0.2734000      -2.417200    
 H   -4.005200     -6.7000002E-02   1.862300    
 H   -6.896000      0.6729000      -2.096800    
 H   -6.222300      0.8343000       2.158100    
 H   -8.100000       2.057500       1.114700    
 H   -8.800900      0.5866000      0.3994000    
 H   -8.380500       1.981500     -0.6220000    


%chk=000059336-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059336

0 1
O 3.693597 -1.699779 0.240687
O 2.974281 -1.313311 -1.932274
O -2.149623 -0.786173 1.875392
N -0.532671 -0.675093 0.191633
N -2.828289 -0.391803 -0.343242
C 2.275083 0.249520 -0.117107
C 1.130543 0.695792 -1.078171
C 1.644084 -0.084051 1.262871
C -0.030310 -0.327497 -1.152320
C 0.512136 -1.122681 1.136587
C 3.358690 1.358808 -0.045059
C 2.982042 -0.990212 -0.718996
C -1.859463 -0.622306 0.646966
C 3.694829 2.011194 1.166959
C 4.034260 1.748680 -1.233121
C 4.670605 3.034254 1.190131
C 5.010585 2.766782 -1.210637
C 5.331820 3.418482 0.002886
C 4.513841 -2.850253 -0.258178
C -4.221205 -0.157970 -0.161758
C 5.166827 -3.486365 0.963769
C -4.998338 0.064993 -1.331172
C -4.862246 -0.125652 1.105071
C -6.381689 0.314164 -1.237387
C -6.248124 0.129725 1.175059
C -7.038910 0.350039 0.019025
C -8.536235 0.587882 0.117790
H 1.527184 0.845787 -2.097016
H 0.744228 1.665432 -0.712194
H 1.220032 0.843808 1.690662
H 2.411736 -0.468871 1.955794
H -0.827247 0.126192 -1.765330
H 0.319763 -1.239614 -1.678115
H 0.023016 -1.284225 2.109899
H 0.927530 -2.093876 0.791774
H 3.203896 1.728264 2.102333
H 3.806555 1.242951 -2.179175
H 4.913557 3.528302 2.137735
H 5.521139 3.050095 -2.137926
H -2.529027 -0.426231 -1.317580
H 6.088279 4.210828 0.022461
H 5.252278 -2.453495 -0.978205
H 3.845150 -3.545412 -0.796990
H 4.405331 -3.855346 1.671891
H 5.810158 -2.760565 1.489415
H 5.792162 -4.341776 0.649321
H -4.516195 0.050032 -2.318341
H -4.270838 -0.303419 2.004581
H -6.957833 0.486143 -2.154921
H -6.726554 0.155159 2.162294
H -8.803168 1.100203 1.059241
H -9.097574 -0.367012 0.094596
H -8.905179 1.204878 -0.721008


