%chk=000124800.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124800

0 1
 O  -0.3770000       1.716600       1.381800    
 O   3.2299999E-02  -2.576700     -9.6199997E-02
 O   -2.414500      -1.145500      0.2412000    
 O   0.5881000       4.371500      0.7366000    
 O   -4.512500      -2.024800     -0.1167000    
 N    2.794400      -2.599300      0.2968000    
 C   0.6649000     -0.3835000      0.7341000    
 C   0.6806000      -1.348500     -0.4459000    
 C  -0.6628000      0.3002000       1.119500    
 C    2.261800      -1.544100     -0.5764000    
 C   -1.774100      0.1426000      4.6500001E-02
 C    1.392500      -1.098200       1.962300    
 C  -9.7400002E-02 -0.8532000      -1.690100    
 C    1.380100      0.8602000      0.1988000    
 C   -1.213700      0.1728000      -1.394700    
 C    2.917500     -0.4074000      -1.413200    
 C    2.104300      -2.505400       1.630700    
 C    2.397800      0.9132000     -0.7898000    
 C   0.7501000       1.993100      0.6565000    
 C   -2.908400       1.150100      0.2410000    
 C    2.773000      -3.924200     -0.2918000    
 C    2.846300       2.171400      -1.183000    
 C   -4.079600      0.3492000     -0.1885000    
 C    1.193100       3.244900      0.2832000    
 C   -3.749800      -1.079700     -3.6400001E-02
 C    2.257800       3.326800     -0.6300000    
 C   -5.244600      0.7777000     -0.6761000    
 H   -1.042400     -0.1145000       2.061800    
 H    2.209100      -2.180100      -1.479500    
 H   0.6746000      -1.293900       2.767000    
 H    2.157000     -0.4237000       2.368400    
 H  -0.5615000      -1.716700      -2.187300    
 H   0.5491000     -0.4151000      -2.454400    
 H  -0.8353000       1.178600      -1.615500    
 H   -2.016000     -3.5999999E-03  -2.123100    
 H    2.679400     -0.4419000      -2.481500    
 H    4.005900     -0.4482000      -1.294800    
 H    2.847300      -2.701600       2.412800    
 H    1.348800      -3.295000       1.730800    
 H   -2.765400       2.069200     -0.3352000    
 H   -3.035600       1.411800       1.298300    
 H  -0.8715000      -2.375300      0.1969000    
 H    3.400500      -3.966800      -1.189900    
 H    1.770100      -4.276100     -0.5527000    
 H    3.202700      -4.648700      0.4094000    
 H    3.633800       2.271600      -1.924200    
 H    2.620500       4.299800     -0.9556000    
 H   -5.440600       1.838900     -0.7875000    
 H   -6.027000      8.8500001E-02 -0.9751000    
 H    1.033900       5.145000      0.3506000    


%chk=000124800-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124800

0 1
O -0.427625 1.730683 1.238454
O -0.173300 -2.704105 -0.245615
O -2.512911 -1.154140 0.049627
O 0.834648 4.351117 0.831176
O -4.651296 -2.074854 -0.058973
N 2.695493 -2.347161 0.287517
C 0.549395 -0.440736 0.603328
C 0.488581 -1.435117 -0.597377
C -0.784245 0.273702 0.991552
C 1.978288 -1.808736 -0.909660
C -1.873334 0.221729 -0.103997
C 1.220101 -1.105814 1.860625
C -0.242791 -0.817443 -1.837010
C 1.371040 0.745867 0.109082
C -1.274860 0.305625 -1.517208
C 2.805255 -0.601504 -1.461327
C 1.939848 -2.435078 1.554098
C 2.471426 0.709799 -0.760721
C 0.808391 1.939447 0.579640
C -3.046061 1.215241 0.136233
C 3.478197 -3.559211 -0.003179
C 3.101803 1.953314 -1.028054
C -4.296069 0.389828 -0.097131
C 1.425028 3.178785 0.325707
C -3.932662 -1.062669 -0.042696
C 2.603286 3.156524 -0.470938
C -5.572749 0.792353 -0.313071
H -1.211966 -0.086902 1.941279
H 1.930210 -2.592576 -1.696635
H 0.449790 -1.306174 2.628888
H 1.937139 -0.384367 2.292439
H -0.747087 -1.660852 -2.341113
H 0.484814 -0.409210 -2.558243
H -0.796983 1.299996 -1.599793
H -2.096557 0.282324 -2.258109
H 2.634131 -0.475176 -2.551617
H 3.873806 -0.858538 -1.341185
H 2.670012 -2.637980 2.362900
H 1.200653 -3.265345 1.539906
H -2.972144 2.088728 -0.530804
H -3.011376 1.598503 1.172428
H -1.141213 -2.506083 -0.106148
H 4.126093 -3.392747 -0.884024
H 2.842639 -4.456025 -0.206241
H 4.135146 -3.791584 0.855643
H 3.974277 1.994382 -1.690093
H 3.111756 4.104743 -0.692531
H -5.849796 1.850909 -0.357924
H -6.365637 0.047131 -0.444750
H 1.377015 5.141396 0.585546


