%chk=000044143.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044143

0 1
 O   -4.112300      0.2238000      0.1419000    
 O   0.5640000       1.144200     -7.6800004E-02
 O   -1.646900      0.6160000      0.7280000    
 O   -3.553900      -1.707600      -1.001400    
 N    2.574300      -1.672000      0.2388000    
 N    2.461200     -0.2689000      0.1954000    
 N  -0.9345000      -1.314300     -0.3908000    
 C    1.310700      -2.199800     -3.0400001E-02
 C   0.3938000      -1.232400     -0.1559000    
 C    1.110900      5.7599999E-02  1.7400000E-02
 C    3.569700      0.5969000      2.1700000E-02
 C   -6.323200       1.176000      0.4407000    
 C    3.432100      -2.267800       1.258500    
 C    1.087100      -3.673000     -0.1002000    
 C   -5.497400      3.7799999E-02 -0.1650000    
 C    3.434800       1.969300      0.2545000    
 C    4.806800      8.5500002E-02 -0.3834000    
 C   -5.902000       2.533300     -0.1265000    
 C   -7.812800      0.9397000      0.2008000    
 C   -1.860600     -0.3877000      6.4999998E-02
 C    4.525700       2.821600      8.3800003E-02
 C    5.897600      0.9381000     -0.5539000    
 C   -3.282000     -0.7223000     -0.3420000    
 C    5.757100       2.306100     -0.3203000    
 H   -6.139900       1.201800       1.522400    
 H    4.319600      -1.673100       1.487300    
 H    3.774600      -3.255100      0.9309000    
 H    2.879400      -2.389200       2.197400    
 H    1.756100      -4.122500     -0.8412000    
 H   6.1999999E-02  -3.923900     -0.3882000    
 H    1.281100      -4.140700      0.8702000    
 H   -1.290700      -2.193400     -0.7564000    
 H   -5.826300     -0.9217000      0.2526000    
 H   -5.626100      1.1500000E-02  -1.254300    
 H    2.502200       2.405400      0.5974000    
 H    4.949000     -0.9666000     -0.6129000    
 H   -6.500400       3.339000      0.3120000    
 H   -6.034000       2.567100      -1.213300    
 H   -4.850800       2.745600      9.3999997E-02
 H   -8.411600       1.734200      0.6586000    
 H   -8.131000     -1.2200000E-02  0.6389000    
 H   -8.044700      0.9148000     -0.8694000    
 H    4.418400       3.886000      0.2715000    
 H    6.854500      0.5384000     -0.8768000    
 H    6.606400       2.969800     -0.4537000    


%chk=000044143-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044143

0 1
O -4.382154 -0.007092 -0.123255
O 1.420035 1.801148 -1.009562
O -2.204140 -1.376756 0.855332
O -2.973361 1.665802 -0.931148
N 2.497601 -1.009566 0.887886
N 2.779488 0.173615 0.132097
N -0.806364 0.328568 -0.002065
C 1.089123 -1.102308 1.037179
C 0.502828 -0.064572 0.315230
C 1.556751 0.779775 -0.267946
C 4.056692 0.374311 -0.477415
C -6.816556 -0.081870 -0.304559
C 3.389969 -1.262462 2.045672
C 0.527868 -2.187669 1.909633
C -5.570011 0.739967 -0.652096
C 4.469106 1.696903 -0.778283
C 4.887022 -0.728905 -0.803403
C -6.982118 -0.237300 1.223948
C -8.054372 0.589313 -0.947757
C -2.016345 -0.282099 0.248249
C 5.718537 1.905804 -1.398805
C 6.142423 -0.500939 -1.406020
C -3.160053 0.572471 -0.334564
C 6.565174 0.814826 -1.705879
H -6.686703 -1.088694 -0.749056
H 4.438352 -1.255377 1.712185
H 3.157843 -2.258386 2.451159
H 3.257126 -0.499950 2.838361
H 0.990704 -3.163361 1.672945
H -0.558466 -2.255425 1.749054
H 0.705586 -1.978375 2.982626
H -0.849500 1.206582 -0.550345
H -5.436278 0.865622 -1.742481
H -5.585288 1.741157 -0.180637
H 3.806838 2.534516 -0.547490
H 4.532876 -1.748719 -0.619452
H -7.861866 -0.863854 1.458283
H -7.131578 0.749481 1.704160
H -6.090775 -0.709614 1.670943
H -8.964591 0.002703 -0.730031
H -7.956264 0.667706 -2.046796
H -8.208127 1.608276 -0.543406
H 6.032415 2.927601 -1.637960
H 6.781427 -1.354625 -1.657423
H 7.537125 0.987069 -2.180207


