%chk=000146636.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146636

0 1
 O    2.577000       1.691500     -0.9075000    
 O   0.9041000      -1.976400      -1.635900    
 O   -3.784700      -1.480800     -0.3497000    
 O   -4.002800       1.094500      0.6756000    
 N    2.193200     -0.9356000     -5.4699998E-02
 N   0.6989000       1.717900      0.5163000    
 C    2.472600      8.6700000E-02  0.9456000    
 C    3.973300     -7.2400004E-02   1.241900    
 C    4.247100      -1.531700      0.9099000    
 C    3.369800      -1.756600     -0.3075000    
 C    2.118200       1.473400      0.4237000    
 C   0.9996000      -1.163600     -0.7128000    
 C  -0.2424000     -0.4555000     -0.2806000    
 C  -0.3381000      0.8490000      0.2389000    
 C   -1.421100      -1.216100     -0.4691000    
 C   -1.635600       1.329500      0.5485000    
 C   -2.679800     -0.7104000     -0.1539000    
 C    2.234200       2.990300      -1.369900    
 C   -2.788600      0.5698000      0.3558000    
 C   -4.200300      -2.308100      0.7359000    
 C   -4.694400       1.804600     -0.3507000    
 H    1.898900     -0.1626000       1.847900    
 H    4.219000      0.1778000       2.278300    
 H    4.577000      0.5697000      0.5887000    
 H    5.303100      -1.735800      0.7144000    
 H    3.917600      -2.169800       1.738600    
 H    3.845500      -1.383800      -1.221600    
 H    3.097300      -2.806300     -0.4514000    
 H    2.615600       2.206800       1.072300    
 H   0.4359000       2.654600      0.8079000    
 H   -1.368100      -2.230700     -0.8621000    
 H   -1.747200       2.333800      0.9595000    
 H    2.769100       3.163000      -2.308500    
 H    2.542100       3.762000     -0.6570000    
 H    1.163800       3.067000      -1.582600    
 H   -3.417700      -3.030700      0.9885000    
 H   -5.095100      -2.855100      0.4266000    
 H   -4.447200      -1.699400       1.611500    
 H   -4.900900       1.147700      -1.201400    
 H   -4.110500       2.671000     -0.6773000    
 H   -5.645300       2.157200      5.8100000E-02


%chk=000146636-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000146636

0 1
O 2.728848 1.656507 -0.780189
O 0.941821 -2.105253 -1.541569
O -3.832525 -1.457152 -0.462210
O -4.033055 1.245934 0.686607
N 2.243717 -0.945368 -0.039925
N 0.733585 1.739470 0.667895
C 2.534153 0.054903 1.007780
C 4.063674 -0.090099 1.249828
C 4.405361 -1.512337 0.739732
C 3.457062 -1.686607 -0.465140
C 2.152566 1.490321 0.570361
C 1.029603 -1.191809 -0.649629
C -0.211100 -0.446448 -0.212743
C -0.329291 0.867343 0.354830
C -1.413213 -1.166296 -0.470431
C -1.632997 1.386597 0.611506
C -2.686862 -0.665007 -0.184682
C 2.520998 2.993511 -1.338517
C -2.798596 0.653875 0.349082
C -4.495931 -1.978884 0.753495
C -5.012695 1.352797 -0.421992
H 1.958288 -0.171837 1.927980
H 4.325891 0.066748 2.310137
H 4.592041 0.662960 0.638493
H 5.466562 -1.616267 0.457130
H 4.177316 -2.268829 1.513061
H 3.873548 -1.234534 -1.386525
H 3.189892 -2.731436 -0.689767
H 2.646074 2.222717 1.250061
H 0.452286 2.660766 1.002102
H -1.317639 -2.155555 -0.928470
H -1.754032 2.397411 1.019447
H 3.051189 2.999676 -2.303232
H 2.944493 3.783520 -0.679596
H 1.445905 3.198217 -1.510032
H -3.806834 -2.640983 1.312051
H -5.361580 -2.557177 0.394981
H -4.830930 -1.151815 1.407977
H -5.202759 0.365787 -0.877670
H -4.634524 2.054043 -1.190022
H -5.927209 1.756985 0.038005


