%chk=000034585.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034585

0 1
 O   -1.007400      0.5788000      0.5263000    
 O   0.1400000      0.3444000      -1.438000    
 N   -3.831200      -1.086600     -0.7602000    
 N    1.209200      0.2489000      0.6424000    
 C   -3.385300      0.9656000      0.7702000    
 C   -2.216700      0.7384000     -0.2059000    
 C   -3.588100     -0.3127000       1.602500    
 C   -4.652000       1.173800     -7.1900003E-02
 C   -2.497600     -0.5135000      -1.056100    
 C   -3.863400      -1.495800      0.6607000    
 C   -4.862100     -4.8200000E-02 -0.9813000    
 C   0.1334000      0.3836000     -0.2137000    
 C    2.565800      3.4200002E-02  0.3086000    
 C    3.041700      -1.263600      0.1851000    
 C    3.401100       1.124300      0.1094000    
 C    4.380400      -1.475500     -0.1444000    
 C    4.739800      0.9123000     -0.2202000    
 C    2.156900      -2.449500      0.3957000    
 C    2.906200       2.528600      0.2381000    
 C    5.229500     -0.3875000     -0.3471000    
 H   -3.193000       1.818100       1.429900    
 H   -2.119000       1.622600     -0.8501000    
 H   -4.431400     -0.1813000       2.291100    
 H   -2.701900     -0.5176000       2.214200    
 H   -4.558200       2.081400     -0.6798000    
 H   -5.521600       1.308200      0.5823000    
 H   -2.457400     -0.2523000      -2.121400    
 H   -1.749200      -1.302000     -0.9114000    
 H   -3.127700      -2.291000      0.8347000    
 H   -4.838000      -1.942100      0.8951000    
 H   -5.858600     -0.4741000     -0.8095000    
 H   -4.853800      0.2625000      -2.033600    
 H    1.014500      0.3078000       1.638800    
 H    4.778600      -2.481400     -0.2483000    
 H    5.415200       1.748200     -0.3825000    
 H    1.378100      -2.485900     -0.3731000    
 H    2.715900      -3.390100      0.3424000    
 H    1.687800      -2.409700       1.384500    
 H    3.717400       3.257800      0.1358000    
 H    2.168400       2.746000     -0.5412000    
 H    2.452100       2.688900       1.221600    
 H    6.271800     -0.5526000     -0.6042000    


%chk=000034585-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000034585

0 1
O -0.999592 0.391441 0.341793
O 0.249303 -0.208616 -1.569968
N -4.103621 -1.342010 -0.114570
N 1.247889 0.201166 0.541814
C -3.332856 1.114488 0.276329
C -2.243668 0.330016 -0.483762
C -3.632759 0.430012 1.638650
C -4.616477 1.092237 -0.601313
C -2.737058 -1.146206 -0.676395
C -4.085414 -1.049689 1.353119
C -5.054125 -0.408663 -0.793454
C 0.194163 0.091118 -0.351957
C 2.642263 0.049504 0.227627
C 3.135981 -1.154507 -0.353898
C 3.515271 1.125721 0.570866
C 4.526115 -1.240023 -0.620090
C 4.897346 0.988030 0.306259
C 2.230750 -2.329359 -0.661057
C 2.971609 2.398823 1.196440
C 5.403153 -0.184164 -0.296742
H -2.992869 2.152964 0.435673
H -2.015126 0.803781 -1.456130
H -4.426329 0.995829 2.162162
H -2.730718 0.454528 2.274515
H -4.422490 1.577603 -1.577151
H -5.408065 1.677835 -0.097518
H -2.747264 -1.416172 -1.746279
H -2.043833 -1.835626 -0.160953
H -3.400501 -1.773504 1.830264
H -5.099731 -1.242498 1.746998
H -6.060430 -0.586853 -0.373797
H -5.088879 -0.678786 -1.864452
H 0.996599 0.584757 1.455805
H 4.919445 -2.158122 -1.071882
H 5.574907 1.810837 0.562558
H 1.624475 -2.132745 -1.563700
H 2.821661 -3.246736 -0.822912
H 1.519094 -2.514878 0.165098
H 3.755229 3.172938 1.248995
H 2.125152 2.806285 0.613118
H 2.606986 2.236673 2.231314
H 6.474611 -0.276029 -0.505914


