%chk=000117508.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117508

0 1
 O   6.3500002E-02   2.104400      0.2369000    
 O   -2.337600      -1.398300     -0.2755000    
 O   0.7620000       4.041800     -0.7919000    
 O   -4.338900     -0.6889000      0.6139000    
 N   0.4604000       3.942800       1.485500    
 N   -3.949800      -2.911800      0.1729000    
 C  -0.4344000     -1.1300000E-02 -0.8564000    
 C   0.5152000     -0.8444000      3.6800001E-02
 C    1.951200     -0.9072000     -0.4954000    
 C    2.873600      -1.787700      0.3543000    
 C   1.8300001E-02   1.445800      -1.021200    
 C   -1.864100     -5.7599999E-02 -0.2920000    
 C    4.287700      -1.910700     -0.2146000    
 C    5.142600      -2.849800      0.6229000    
 C   0.4555000       3.416200      0.2175000    
 C   -3.605200      -1.583200      0.2063000    
 H  -0.4473000     -0.4817000      -1.848700    
 H   0.1332000      -1.869700      0.1167000    
 H   0.5250000     -0.4353000       1.055000    
 H    2.384500      9.8200001E-02 -0.5300000    
 H    1.936800      -1.287400      -1.524100    
 H    2.923700      -1.380600       1.371700    
 H    2.431900      -2.788800      0.4358000    
 H    1.000700       1.494900      -1.502800    
 H  -0.6927000       1.971100      -1.671700    
 H   -2.528800      0.5448000     -0.9233000    
 H   -1.886700      0.3457000      0.7278000    
 H    4.243000      -2.287400      -1.243000    
 H    4.760000     -0.9223000     -0.2506000    
 H    5.229800      -2.487400       1.652200    
 H    4.712200      -3.855900      0.6475000    
 H    6.150200      -2.921700      0.2015000    
 H   0.7263000       4.906700       1.656300    
 H   0.1983000       3.383900       2.290500    
 H   -4.857700      -3.230600      0.4941000    
 H   -3.306800      -3.615700     -0.1738000    


%chk=000117508-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000117508

0 1
O -0.309659 2.430475 -0.104662
O -2.567832 -1.266372 -0.677723
O 2.038663 2.701812 0.016313
O -3.051215 -1.216892 1.640782
N 0.584550 3.572164 1.640142
N -3.442164 -3.111089 0.311431
C -0.594068 0.162768 -1.089400
C 0.338572 -0.584015 -0.103170
C 1.782166 -0.787559 -0.617360
C 2.638669 -1.646443 0.340769
C -0.171839 1.622989 -1.347044
C -2.065363 0.129451 -0.629048
C 4.084352 -1.857331 -0.164089
C 4.942127 -2.706324 0.798986
C 0.887203 2.887919 0.484604
C -3.026768 -1.816172 0.537518
H -0.539061 -0.344402 -2.077544
H -0.109353 -1.575215 0.107094
H 0.358013 -0.040710 0.863070
H 2.277129 0.193953 -0.751148
H 1.751642 -1.275986 -1.614984
H 2.668961 -1.160159 1.338159
H 2.153721 -2.634331 0.490216
H 0.873035 1.690456 -1.694656
H -0.841237 2.108857 -2.079259
H -2.710597 0.706119 -1.316607
H -2.178774 0.515614 0.398877
H 4.054434 -2.343285 -1.161138
H 4.562178 -0.868152 -0.314461
H 5.017152 -2.223076 1.791554
H 4.497322 -3.708707 0.947871
H 5.968880 -2.845791 0.412906
H 1.343798 3.973077 2.182820
H -0.380468 3.659012 1.949571
H -3.807584 -3.648515 1.091902
H -3.390987 -3.513238 -0.621193


