%chk=000064116.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064116

0 1
 O    2.787600     -0.6343000      4.3000001E-03
 O   -2.239100      -2.487000     -1.8000000E-03
 O   -3.679500       1.978300     -2.0999999E-03
 N   0.5332000      -1.363600      2.4999999E-03
 N   -1.389700       1.564200      6.0000003E-04
 N   -2.984600     -0.2586000     -1.6000000E-03
 N   0.9577000      0.8250000      3.4000000E-03
 C  -0.6810000     -0.7389000      1.8000000E-03
 C  -0.3925000      0.5986000      2.0999999E-03
 C    1.488600     -0.3803000      3.5000001E-03
 C   -2.000300      -1.282500     -3.0000001E-04
 C   -2.749500       1.163900     -6.0000003E-04
 C   0.7787000      -2.786900      2.0000001E-03
 C   -1.032500       2.977500      8.9999998E-04
 C    3.705400      0.4808000      5.2999998E-03
 C   -4.385100     -0.6682000     -4.6999999E-03
 C    5.129100     -5.4099999E-02 -1.5100000E-02
 C    6.153600       1.066100     -9.9999997E-05
 H    1.853000      -2.984400      3.8000001E-03
 H   0.3266000      -3.214800      0.9003000    
 H   0.3295000      -3.213600     -0.8983000    
 H   -1.919700       3.615900     -6.0000003E-04
 H  -0.4397000       3.194700     -0.8930000    
 H  -0.4426000       3.194900      0.8966000    
 H    3.537900       1.081500      0.9074000    
 H    3.520900       1.100000     -0.8809000    
 H   -4.502500      -1.754300     -4.6000001E-03
 H   -4.870800     -0.2525000     -0.8933000    
 H   -4.874900     -0.2521000      0.8815000    
 H    5.286100     -0.7138000      0.8466000    
 H    5.273600     -0.6802000     -0.9037000    
 H    6.050600       1.679900      0.9004000    
 H    7.167200      0.6535000     -1.5799999E-02
 H    6.037600       1.715400     -0.8738000    


%chk=000064116-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000064116

0 1
O 2.826623 -0.680296 -0.004824
O -2.361172 -2.517389 -0.000686
O -3.726829 2.002358 0.001755
N 0.562252 -1.393285 -0.003357
N -1.418323 1.576544 -0.000643
N -3.017450 -0.232922 0.000691
N 0.952417 0.874038 -0.002699
C -0.698590 -0.752166 -0.002134
C -0.414134 0.622131 -0.001770
C 1.496752 -0.374091 -0.003713
C -2.029141 -1.289053 -0.001015
C -2.775478 1.167803 0.000689
C 0.825500 -2.839538 -0.003641
C -1.089115 3.014457 -0.001013
C 3.758224 0.490261 -0.000419
C -4.444379 -0.629513 0.002539
C 5.177821 -0.073694 -0.009749
C 6.225943 1.061727 0.005795
H 1.915350 -2.990852 -0.003427
H 0.379984 -3.308465 0.888469
H 0.380446 -3.308171 -0.896140
H -2.038020 3.570115 -0.000433
H -0.498639 3.267884 -0.897530
H -0.497424 3.268141 0.894628
H 3.550154 1.094883 0.901884
H 3.542762 1.108389 -0.891648
H -4.475870 -1.728936 0.002888
H -4.950594 -0.226966 -0.890066
H -4.948382 -0.226346 0.896110
H 5.313018 -0.728989 0.870794
H 5.311980 -0.704269 -0.908256
H 6.125209 1.691376 0.909385
H 7.248708 0.646365 -0.001718
H 6.123296 1.718571 -0.878046


